CN101415484A - Methods and systems for deriving chemical compositions that are present in a chemical product and for determining compliance of chemical products with government regulations - Google Patents
Methods and systems for deriving chemical compositions that are present in a chemical product and for determining compliance of chemical products with government regulations Download PDFInfo
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- CN101415484A CN101415484A CNA2004800363226A CN200480036322A CN101415484A CN 101415484 A CN101415484 A CN 101415484A CN A2004800363226 A CNA2004800363226 A CN A2004800363226A CN 200480036322 A CN200480036322 A CN 200480036322A CN 101415484 A CN101415484 A CN 101415484A
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Abstract
The present invention relates to methods, systems, and computer readable media for deriving chemical compositions that are present in a chemical product to be manufactured and for determining whether the chemical product complies with government regulations. A method can comprise obtaining a bill of material comprising components to manufacture the chemical product; ascertaining whether any of the components comprises subcomponents; replacing any components comprising subcomponents with the subcomponents in a revised bill of material; and deriving from the revised bill of material the chemical compositions present in the manufactured chemical product. In some embodiments, the derived chemical compositions can be compared to a stored set of government regulatory standards relating to the chemical compositions to determine compliance.
Description
The cross reference of related application
The application requires the rights and interests of following application: the U.S. Provisional Patent Application 60/508 that on October 6th, 2003 submitted to, 948, it is incorporated herein by reference in full thus, and the U.S. Provisional Patent Application of submitting on October 31st, 2,003 60/515,983, it is incorporated herein by reference in full thus.
Invention field
The present invention relates to computer integrated manufacturing system and method, in particular to being used for the system and method that chemical products is made.Some embodiments of the present invention relate to the method and system of the chemical composition that is present in chemical products to be made of being used for deriving.Some embodiments of the present invention provide rules to defer to information for the chemical composition in the production process comprises reactant, non-reactant and chemical intermediate.
Background technology
Because the worldwide needs of chemical products and the complexity of product are increased day by day, it is complicated day by day that the manufacturing of chemical products becomes.The modernization factory be the integrated complex of unordered expansion, employ into hundred or thousands of employees make the number of chemical product.
Computer system, method and program product have been widely used for Chemical Engineering Process Control.For example Enterprise Resources Plan (" ERP ") computer product can provide the registration of automatic production marketing order, and the inventory that can also follow the trail of the manufacturing inventory of raw material and be used in the material in the chemical plant is with the manufacturing chemistry product.This enterprise resource planning (ERP) product makes manufacturer can follow order, stock and manufacturing operation for comprehensive chemical plant.
Because the toxicity of some chemicals, chemical industry is by many state's laws and lex loci control.For example, in the U.S., harmful substance control bill (Toxic Substance Control Act (TSCA)) is the manufacturing of the complicated management chemicals of a cover and the rules of use.Do not defer to the TSCA rules and will bring severe punishment to chemicals manufacturer.Unfortunately, because the quantity of the chemicals of producing and complexity increases day by day and the number and the complexity of the rules that administrative institute manufactures a product increase day by day becomes complicated day by day to deferring to of TSCA and other rules.
General introduction
The present invention comprises system, method and the computer-readable medium of the chemical composition that is present in chemical products to be made of being used for deriving.Some embodiments of the present invention relate to system, method and the computer-readable medium of the rules information that is used to provide relevant with chemical products.In some embodiments, rules information can relate to the degree of deferring to laws and regulations on the management.
According to certain embodiments of the present invention, be present in the chemical composition of the chemical composition that comprises reactant in the production process, non-reactant and the chemical composition that can not find is determined in chemical products to be made, and derive chemical composition.The chemical composition of so determining can be compared to determine to defer to degree with the laws and regulations on the management standard that a cover of having stored relates to chemical composition in some embodiments.Thereby, can determine the degree of deferring in some embodiments to the complex management rules of management chemical products.
Some embodiments of the present invention relate to the method that derivation is present in the chemical composition in the chemical products to be made.In some embodiments, these methods can be implemented in data handling system.The system, method and the computer-readable medium that are present in the chemical composition for the treatment of the manufacturing chemistry product of being used for deriving can be independent of and be used to determine to treat system, the method and computer program product of manufacturing chemistry product to the degree of deferring to of the laws and regulations on the management of management products made thereby.For example, some embodiments of the present invention can be used in and determine that to contract, the compatible treaty of shipping, storage restriction and other can be industry or company and the degree of deferring to of other rule of formulating of government organs not necessarily.
In some embodiments, derive and to be present in the method for the treatment of the chemical composition in the manufacturing chemistry product and to comprise: the inventory that obtains the material that comprises the component that is used for the manufacturing chemistry product; Determined whether that component comprises secondary component; On material correction inventory, replace comprising any component of secondary component with secondary component; And derive from material correction inventory and to be present in chemical composition the products made thereby.
In some embodiments, derive and to be present in the method for the treatment of the chemical composition in the manufacturing chemistry product and to comprise: obtain the bill of materials that comprises the chemical composition for the treatment of the manufacturing chemistry product; Determined whether that chemical composition comprises secondary component; On material correction inventory, replace comprising the chemical composition of secondary component with secondary component; Specify a component class for every kind of component and secondary component, each component class comprises following at least a: basic thing, additive, reactant and monomer; And derive from material correction inventory and to be present in chemical composition the products made thereby.
In some embodiments, every kind of component solvent, catalyst or packaging material that can comprise additive, basic thing, catalyst, monomer, reactant, become the solvent of a made chemicals part and do not become a made chemical products part.Some embodiments can be included in to derive and are present in before the chemical composition in the made chemical products, remove specific component or secondary component from material correction inventory.The example of the component that can remove includes but not limited to catalyst, the solvent that does not become a made chemical products part and packaging material.
In some embodiments, component can comprise chemical intermediate or waste material.Chemical intermediate for example can be to make the product of inventory from another material, but also can be that other material is made component or the secondary component in the inventory.Waste material for example can comprise the material of refusing to be used for its initial purposes because of some reasons, but still can be as component or the secondary component in other bill of materials.In some embodiments, component or secondary component can have the bill of materials of associated oneself.
In some embodiments, derive and to be present in chemical composition in the made chemical products and can to comprise from component and secondary component and determine chemical composition.In some embodiments, determine that from component or secondary component chemical composition comprises at least a product of determining between at least two kinds of components and the secondary component.
In some embodiments, can by will at least two kinds the concentration and recently definite mutually this at least a product of a plurality of product of components and secondary component and component and secondary component, wherein every kind of product has associated at least two kinds of components and secondary component and concentration range.Every kind of product can have unique combination of associated component, secondary component and concentration range.In some embodiments, the rules inventory of the degree of deferring to be can form, product and any unreacted component and secondary component comprised.The example of unreacted component and secondary component can include but not limited to additive and solvent.In some embodiments, a cover of the rules inventory of material and storage can be related to the laws and regulations on the management standard contrast of chemical composition, to determine to defer to degree.
Some embodiments of the present invention can comprise the amount of determining product.Some embodiments of the present invention can illustrate the reaction loss in the product amount deterministic process.In some embodiments, the reaction loss can appear on the bill of materials.In some embodiments, can be by determine the amount of product from the total amount deduction reaction waste of the component that reacted and secondary component.
In some embodiments, determine that from component and secondary component chemical composition comprises at least a polymer of determining based on the polymerization of at least a component or secondary component.In some embodiments, this at least a component or secondary component can comprise monomer.
In some embodiments, this at least a polymer can by should at least a component or secondary component and multiple polymers come relatively to determine that wherein every kind of polymer can have associated at least a component or secondary component.Every kind of polymer can have unique combination of associated component and secondary component.Can form in some embodiments and defer to the rules inventory, comprise polymer and any unpolymerized component and secondary component.Unpolymerized component and secondary component can include but not limited to additive and solvent.In some embodiments, a cover of the rules inventory of material and storage can be related to the laws and regulations on the management standard contrast of chemical composition, to determine to defer to degree.
Some embodiments of the present invention can comprise the amount of determining polymer.Some embodiments of the present invention can illustrate the polymer reaction loss in the amount of polymers deterministic process.In some embodiments, the polymerisation loss can appear on the bill of materials.In some embodiments, can be by deducting the amount that the polymerisation waste is determined polymer from the component of institute's polymerization and the total amount of secondary component.
In the embodiment of the present invention that adopts the component class, this embodiment further comprises the predetermined combinations that verification material correction inventory does not comprise the component class.In some embodiments, when material correction inventory comprises the predetermined combinations of component class, may produce mistake.
In some embodiments, the chemical composition that is present in the made chemical products can be determined from component, secondary component and component class.In some embodiments, wherein at least a component and secondary component have monomer or are equal to the component class of monomer, determine that chemical composition can comprise to determine based at least a monomer or be equal at least a polymer of the polymerization of monomer.In some embodiments, this at least a polymer can be by should at least a monomer or be equal to monomer and initator and multiple polymers relatively come to determine, wherein every kind of polymer has associated monomer, is equal at least a combination of monomer and initator.In some embodiments, every kind of polymer has associated monomer, is equal to unique combination of monomer and initator.
Some embodiments of the present invention can further comprise the chemical composition that will derive and compare to determine to defer to degree with the laws and regulations on the management standard that a cover of being stored relates to chemical composition.In some embodiments, this cover administrative law rule standard of being stored can comprise the laws and regulations on the management standard of the manufactured place of administrative institute's inhibition and generation product, and the laws and regulations on the management standard of the destination of administrative institute's inhibition and generation product.Some embodiments of the present invention can comprise implements modification so that this chemical products to be made becomes up to specification to against regulation chemical products.
Some embodiments of the present invention relate to the degree methods of deferring to of determining laws and regulations on the management that chemical products to be made is formed the management chemical products.These methods can be carried out in data handling system in some embodiments.
In some embodiments, determine that chemical products to be made comprises the degree methods of deferring to of the laws and regulations on the management of management chemical products composition: the inventory that obtains the material that comprises the component that is used for the manufacturing chemistry product; Determined whether that component comprises secondary component; On material correction inventory, replace comprising any component of secondary component with secondary component; Derive from material correction inventory and to be present in chemical composition the products made thereby; And a cover of the chemical composition derived and storage related to the laws and regulations on the management standard contrast of chemical composition, to determine to defer to degree.
In some embodiments, determine that chemical products to be made comprises the degree methods of deferring to of the laws and regulations on the management of management chemical products composition: obtain the bill of materials that comprises the chemical composition for the treatment of the manufacturing chemistry product; Determined whether that chemical composition comprises secondary component; On material correction inventory, replace comprising the chemical composition of secondary component with secondary component; Specify a component class for every kind of component and secondary component, each component class comprises at least a basic thing, additive, reactant and monomer; Derive from material correction inventory and to be present in chemical composition the products made thereby; And a cover of the chemical composition obtained and storage related to the laws and regulations on the management standard contrast of chemical composition, to determine to defer to degree.
Some embodiments of the present invention relate to system, and comprising is used for deriving is present in the system of the chemical composition for the treatment of the manufacturing chemistry product and is used to determine chemical products the to be made system to the degree of deferring to of the laws and regulations on the management of management chemical products.
In some embodiments, derive and to be present in the system that treats the chemical composition in the manufacturing chemistry product and to comprise: the equipment that obtains the bill of materials that comprises the component that is used for the manufacturing chemistry product; Determine whether that component comprises the equipment of secondary component; The equipment that on material correction inventory, comprises any component of secondary component with the secondary component replacement; And derive from material correction inventory and to be present in the equipment of the chemical composition the products made thereby.
In some embodiments, derive and to be present in the system that treats the chemical composition in the manufacturing chemistry product and to comprise: the equipment that obtains the bill of materials that comprises the chemical composition for the treatment of the manufacturing chemistry product; Determine whether that chemical composition comprises the equipment of secondary component; The equipment that on material correction inventory, comprises the chemical composition of secondary component with the secondary component replacement; Specify the equipment of a component class for every kind of component and secondary component, each component class comprises following at least a: basic thing, additive, reactant and monomer; And derive from material correction inventory and to be present in the equipment of the chemical composition the products made thereby.
In some embodiments, determine that chemical products to be made comprises the system of the degree of deferring to of the laws and regulations on the management of management chemical products composition: the equipment that obtains the inventory of the material that comprises the component that is used for the manufacturing chemistry product; Determine whether that component comprises the equipment of secondary component; The equipment that on material correction inventory, comprises any component of secondary component with the secondary component replacement; Derive from material correction inventory and to be present in the equipment of the chemical composition the products made thereby; And a cover of the chemical composition derived and storage related to the laws and regulations on the management standard contrast of chemical composition to determine the equipment of the degree of deferring to.
In some embodiments, determine that chemical products to be made comprises the system of the degree of deferring to of the laws and regulations on the management of management chemical products composition: the equipment that obtains the bill of materials that comprises the chemical composition for the treatment of the manufacturing chemistry product; Determine whether that chemical composition comprises the equipment of secondary component; The equipment that on material correction inventory, comprises the chemical composition of secondary component with the secondary component replacement; Specify the equipment of a component class for every kind of component and secondary component, this component class comprises at least a: basic thing, additive, reactant and monomer; Derive from material correction inventory and to be present in the equipment of the chemical composition the made chemical products; And a cover of the chemical composition derived and storage related to the laws and regulations on the management standard contrast of chemical composition to determine the equipment of the degree of deferring to.
Some embodiments of the present invention relate to the computer-readable medium that comprises the computer program code that is used to implement the inventive method.In some embodiments, the computer-readable medium that contains the computer executable instructions that is useful on deal with data comprises the computer program code that obtains the bill of materials that comprises the component that is used for the manufacturing chemistry product; Determine whether that component comprises the computer program code of secondary component; The computer program code that on material correction inventory, comprises any component of secondary component with the secondary component replacement; And derive from material correction inventory and to be present in the computer program code of the chemical composition the made chemical products.
In some embodiments, the computer-readable medium that contains the computer executable instructions that is useful on deal with data comprises: the computer program code that obtains the bill of materials that comprises the chemical composition for the treatment of the manufacturing chemistry product; Determine whether that chemical composition comprises the computer program code of secondary component; Secondary component replacement on material correction inventory comprises the computer program code of the chemical composition of secondary component; Specify the computer program code of a component class for every kind of component and secondary component, this component class comprises following at least a: basic thing, additive, reactant and monomer; And derive from material correction inventory and to be present in the computer program code of the chemical composition the made chemical products.
In some embodiments, the computer-readable medium that contains the computer executable instructions that is useful on deal with data comprises: the computer program code that obtains the bill of materials that comprises the component that is used for the manufacturing chemistry product; Determine whether that component comprises the computer program code of secondary component; The computer program code that on material correction inventory, comprises any component of secondary component with the secondary component replacement; Derive from material correction inventory and to be present in the computer program code of the chemical composition the made chemical products; And a cover of the chemical composition derived and storage related to the laws and regulations on the management standard contrast of chemical composition to determine the computer program code of the degree of deferring to.
In some embodiments, the computer-readable medium that contains the computer executable instructions that is useful on deal with data comprises: the computer program code that obtains the bill of materials device that comprises the chemical composition for the treatment of the manufacturing chemistry product; Determine whether that chemical composition comprises the computer program code of secondary component; The computer program code that on material correction inventory, comprises the chemical composition of secondary component with the secondary component replacement; Specify the computer program code of a component class for every kind of component and secondary component, this component class comprises following at least a: basic thing, additive, reactant and monomer; Derive from material correction inventory and to be present in the computer program code of the chemical composition the made chemical products; And a cover of the chemical composition derived and storage related to the laws and regulations on the management standard contrast of chemical composition to determine the computer program code of the degree of deferring to.
These and other embodiment of the present invention will be described in the following detailed description in more detail.
A kind of characteristics of some embodiments of the present invention and advantage are to provide the deterministic method and system of the chemical products that can improve ordering products, particularly order.The another kind of characteristics of some embodiments of the present invention and advantage are to provide the method and system that can prevent to defer to the rules that the chemical products manufacturing causes the degree problem.Another characteristic of some embodiments of the present invention and advantage be to provide can promote to prevent to violate chemicals control law and with the method and system of this illegal fine that accompanies or punishment.The additional advantage of some embodiments of the present invention and characteristics are to provide the method and system that is used in the chemical products manufacturing, can promotes to avoid product recall.Other characteristics of some embodiments of the present invention and advantage are to provide the method and system of the report (for example inventory stock report, assessment of cost, SARA report etc.) that is used in the chemical products manufacturing, can strengthens enterprise resource planning (ERP) product.
Other purposes of the present invention, purpose, advantage and new feature will display when following elaboration drawings and detailed description and when analyzing following content those of ordinary skills be become more obvious.
The accompanying drawing summary
Fig. 1 is used to determine chemical products the to be made block diagram to some embodiments of the system of the degree of deferring to of the laws and regulations on the management of management products made thereby, method and computer program product according to certain embodiments of the present invention.
The technological process of method, system and the computer program of Fig. 2 diagram some embodiments according to the present invention.
The flow chart of the method for Fig. 3 diagram some embodiments according to the present invention.
Fig. 4 diagram is used for making the flow chart that inventory is determined the method for product from material according to certain embodiments of the present invention.
Fig. 5 diagram is used for making the flow chart that inventory is determined the method for polymer from material according to certain embodiments of the present invention.
The rules database of Fig. 6 diagram some embodiments according to the present invention.
As shown in the figure, Fig. 7 A, the 7B of common pie graph 7 and the rules of 7C diagram some embodiments according to the present invention are deferred to the degree verification.
As shown in the figure, a kind of embodiment of the restriction of Fig. 7 of Fig. 8 A of common pie graph 8 and 8B diagram some embodiments control according to the present invention.
Describe in detail
In some embodiments, the invention provides method, system and the computer-readable medium that is present in the chemical composition of chemical products to be manufactured for derivation. The present invention is provided for also determining that rules in the chemical process defer to method, system and the computer-readable medium of degree in some embodiments. Although be usually directed to chemical process described in the literary composition, technology of the present invention also can be used in other type manufacture process that adopts ERP type management system.
Some embodiments of the present invention are used in definite especially favourable to deferring in the degree of laws and regulations on the management. Yet, be to be understood that some embodiments of the present invention are not limited to definite degree of deferring to laws and regulations on the management. In the method and system of the information that the chemical composition during method, system and the computer-readable medium of the chemical composition that in some embodiments, is present in chemical products to be manufactured for deriving can be used in concern and be present in chemical products to be manufactured is relevant.
Some embodiments of the present invention can be used for determining that with contract, the compatible treaty of shipping, storage restriction and other can be industry or company and the degree of deferring to of other rule of formulating of government organs not necessarily. As nonrestrictive example, some embodiments of the present invention can be used in the degree of deferring to of determining for the agreement of the supply between manufacturer and the client. This agreement can stipulate only to allow manufacturer to supply specific chemical composition to this client. With this agreement, if the made chemical products that manufacturer attempts to comprise this chemical composition transports the mechanism to non-this client, some embodiments of the present invention can comprise generation and once make an exception.
In some embodiments, method of the present invention is produced the manufacture process of a large amount of chemical products with large enterprises' large-scale production with being used for a place. In some embodiments, the use of the method can be caused the order of one or more chemical products of this place production by client. The use of some embodiments can be caused by the lastest imformation for the production of the material of chemical products. When this situation or other situation occurred, some embodiments of the present invention can be derived and are present in chemical composition in the chemical products to be manufactured. In some embodiments, be present in the chemical products to be manufactured chemical composition can chemical products to be manufactured is made when changing, to making for the manufacture of the method for chemical products when changing, making when changing in order to the component of manufacturing chemistry product or secondary component, deriving during when in chemical products, adding new component or secondary component and/or when removal component or secondary component from chemical products.
In some embodiments, the method be present in the chemical composition in the chemical products to be manufactured of deriving comprises: obtain the bill of materials that comprises for the manufacture of the component of chemical products; Determined whether that component comprises secondary component; On material correction inventory, replace comprising any component of secondary component with secondary component; And derive from material correction inventory and to be present in chemical composition the made chemical products.
In some embodiments, the method be present in the chemical composition in the chemical products to be manufactured of deriving comprises: the bill of materials that obtains the chemical composition that comprises chemical products to be manufactured; Determined whether that chemical composition comprises secondary component; On material correction inventory, replace comprising the chemical composition of secondary component with secondary component; Specify a component class for every kind of component and secondary component, this component class comprises following at least a: basic thing, additive, reactant and monomer; And derive from material correction inventory and to be present in chemical composition the made chemical products.
Some embodiments of the present invention are used in definite especially favourable to deferring in the degree of laws and regulations on the management. About determining chemical products to be manufactured to the degree of deferring to of the laws and regulations on the management of management chemical products, some embodiments of the inventive method comprise: obtain the inventory that comprises for the manufacture of the material of the component of chemical products; Determined whether that component comprises secondary component; On material correction inventory, replace comprising any component of secondary component with secondary component; Derive from material correction inventory and to be present in chemical composition the made chemical products; And a cover of the chemical composition derived and storage related to the laws and regulations on the management Comparison of standards of chemical composition, to determine to defer to degree.
In some embodiments, determine that chemical products to be manufactured comprises the method for the degree of deferring to of the laws and regulations on the management of management chemical products composition: the bill of materials that obtains the chemical composition that comprises chemical products to be manufactured; Determined whether that chemical composition comprises secondary component; In material correction inventory, replace comprising the chemical composition of secondary component with secondary component; Specify a component class for every kind of component and secondary component, this component class comprises following at least a: basic thing, additive, reactant and monomer; Derive from material correction inventory and to be present in chemical composition the made chemical products; And a cover of the chemical composition derived and storage related to the laws and regulations on the management Comparison of standards of chemical composition, to determine to defer to degree.
On the other hand, some embodiments of the present invention relate to system, for example are used for carrying out the data handling system of the inventive method. This system can comprise for computer hardware and the software of implementing above-mentioned steps.
In the one side, some embodiments of the present invention relate to the computer-readable medium that comprises for the computer program code of implementing the inventive method again.
Accompanying drawing provides the generalized schematic of some embodiments of the inventive method and system. Be appreciated that among the figure that the combination of key element can be carried out by system or the combination general and/or specialized hardware and computer instruction (or computer program code) based on general and/or specialized hardware of implementing specific function or task in each key element of legend and the legend. Some embodiments of the present invention relate to computer-readable medium, have for computer-readable instruction or the computer program code of implementing specific function, task or step.
Can provide this computer program code to produce machine to processor, thereby create for carrying out the fixed function of legend middle finger and the equipment of task at the program code that processor is carried out. Can by processor computer program code to cause a series of operating procedures for the treatment of by processor enforcement, carry out the process that computer is carried out, thereby be provided for carrying out the step of the fixed function of legend middle finger and task at the code that processor is carried out. Thereby contained explanation and accompanying drawing support are for the combination of the equipment of implementing appointed function, for the combination of the step of implementing specific function and the computer program code that is used for the enforcement specific function in the literary composition.
Be appreciated that the computer software programs of having stored of carrying out as in data handling system, can be advantageously carried out according to system of the present invention, method and computer program code product. Can use any this system. In some embodiments, can use legacy (legacy) data handling system, for example IBM Model S/390. In some embodiments, use medium-sized or ps, perhaps the network of legacy, medium-sized and ps.
System of the present invention, method and computer program product and enterprise resource planning advantageously interact and strengthen enterprise resource planning. In some embodiments, enterprise resource planning is the legacy system, is used for automatic production marketing order registration, can also safeguard the Bill of manufacturing for the manufacture of the material of chemical products. As will be described below, can change the Bill of manufacturing of material to comprise the component class. The example of enterprise resource planning includes but not limited to SAP system, PeopleSoft system and Oracle system.
The process of carrying out in the present invention can be implemented in the foreground of computer system or backstage. Usually adopt background process favourable for many tasks.
By on the whole, system of the present invention, method and computer program product and aforementioned commonly assigned United States Patent (USP) 6,163, those described in 732 are similar, and the content that this patent discloses is incorporated herein by reference herein. It is non-existent feature in 6,163,732 the United States Patent (USP) that embodiments of the present invention provide a large amount of sequence numbers. With regard to definition herein the term that uses is different from or literary composition in the description of this invention be different from regard to the definition and use and description of term in the patent of ' 732 this specification control ' 732 patent.
Some embodiments of the structure of Fig. 1 diagram system of the present invention, method and computer-readable medium are used to determine chemical products the to be made degree of deferring to the laws and regulations on the management of management products made thereby.The system, method and the computer-readable medium 100 that are appreciated that some embodiments according to the present invention can be used as the storage program of carrying out and carry out on data handling system.Can use the legacy data handling system in some embodiments, for example IBM Model S/390.In other embodiments, can use the network of medium-sized and ps or legacy, medium-sized and ps.
As shown in fig. 1, some embodiments of the present invention can comprise three main parts: Enterprise Resources Plan 110, composition definite 120 and the degree of deferring to contrast 130.In brief, Enterprise Resources Plan 110 can be a kind of system, and it is used for the registration of automatic production sales order and safeguards the material manufacturing inventory that chemical products is made with son.As will be described, can change material and make inventory to comprise the component class.The nonrestrictive example that can be used for the enterprise resource planning of part 110 in some embodiments is SAP Release3, is sold by SAP AG.
Form and determine that 120 determine to be present in the chemical composition for the treatment of in the manufacturing chemistry product.Can in foreground or background process, determine this chemical composition.Defer to degree contrast 130 chemical compositions that will so determine and compare, to determine to defer to degree with the laws and regulations on the management standard that a cover of storage relates to chemical composition.
The more detailed description that Enterprise Resources Plan 110, composition definite 120 will be provided now and defer to some embodiments of degree comparison 130.More specifically, Enterprise Resources Plan 110 comprises the automatic production sales order registration 111 of response client order products 112.Use those skilled in the art's technique known, make automatic production sales order registration 110 and manufacturing safeguard that 113 cooperatively interact so that computer generalization production to be provided.Make and safeguard that 113 responsive materials control documents 114 are to create material manufacturing inventory (BOM) 115.The manufacturing inventory of material is in order to the tabulation of the material that manufactures a product in the chemical industry manufacture process.As described below, material is made inventory and can be comprised with material and make every kind of component class 116 that material component is relevant in the inventory according to the present invention.The component class can be used to determine having which chemical composition in chemical products to be made during forming definite 120.
Provide now and following more descriptions that composition definite 120 will be provided.In embodiment shown in Figure 1, chemical composition is derived and 121 to be adopted and comprise component class 116 and make the inventory 115 materials chemistry composition of deriving with the material that material is made the out of Memory that material component is relevant in the inventory, be also referred to as material rules inventory 122, determine to be present in the chemical composition for the treatment of in the manufacturing chemistry product thus.As will be described in detail, chemical composition obtain 121 adopt component classes 116 and be listed in material and make the relevant out of Memory of component in the inventory and determine chemical composition 122.
Form in some embodiments and determine that 120 also can comprise manual adjustments 123.As will be described in detail, it can be the impurity of a chemical composition part that manual adjustments can be used for solving, and makes an inventory 115 and an informal part even impurity can be material.If known impurities is contained in the chemical composition, so available manual adjustments 123 is added impurity to and is introduced the impurity that is present in the made chemical products in the chemical composition 122.Alternately, as shown in fig. 1, manual adjustments can be used for regulating making safeguards 113, thereby the manufacturing inventory 115 of material also comprises the impurity that will be included in the chemical composition 122.
Material formed or the rules inventory 122 of material offers and defers to degree contrast 130.Defer to degree contrast 130 and comprise rules database 131, this database can comprise the tabulation that puts on the rules on the chemical products.Can be by adding new rules or upgrading already present rules and safeguard rules database 132.Rules database 131, chemical composition 122 and customer order 112 inputed to defer to degree verification 133.
In order to determine whether chemical products to be made meets the laws and regulations on the management of managing products made thereby, defer to degree verification 133 and can comprise chemical composition 122 is compared with a cover administrative law rule standard that is stored in the rules database 131 that is used for customer order 112.Rules are deferred to degree verification 133 can generate order 134 through verification, and indication meets the chemical composition of available laws and regulations on the management; Perhaps can generate exception list 135, the rules of indicating special chemical composition and/or being offended.In some embodiments, suggestion makes chemical composition up to specification by revising 136.
Extra and the more detailed description of the inventive method, system and computer program below will be provided.For unified term is provided, provide definition earlier.
Definition:
Except as otherwise noted, adopt herein to give a definition:
Material: " material " be meant in chemical process, is used for or follows material or the goods that enter into other material or chemical products preparation.For example, chemical products to be made can be every kind of component and the secondary component that material and being used to is made this chemical products.Material also can be chemical intermediate and the waste material that generates during the accessory substance for the treatment of the manufacturing chemistry product, chemical products are made.
Chemical products: " chemical products " is to treat and will make the material of inventory by the chemical industry fabrication process yields according to material.In some embodiments, every kind of dissimilar packing that all contain identical chemical composition are divided into only one chemical products.For example, acetate can be a kind of material, and the acetate in the acetate in the acetate in bulk, 55 GPBs and the 1 quart of sample carrier is three kinds only one chemical products.In some embodiments, chemical products can be the chemical composition during the different chemical product is made.
Chemical composition: " chemical composition " is the chemical material that is used for the manufacturing chemistry product.Chemical composition can be pure chemicals or mixture.Chemical composition can be reactant, monomer, catalyst, solvent, initator, basic thing, additive or any other chemical material.For the chemical composition of mixture can comprise secondary component, these secondary components can be the pure chemistry product in some embodiments, perhaps can be its mixtures.The packaging material that are used to pack Chemical composition that are not chemical composition for chemical products.In some embodiments, chemical products can be the chemical composition during the different chemical product is made.
Component: " component " is the material that is used for the manufacturing chemistry product.Component can be chemical composition (as mentioned above) or component (for example: packaging material, can abandon treating apparatus etc.) non-chemically.Component can comprise secondary component in some embodiments.For example, when component is when comprising the chemical composition of secondary component, secondary component can be pure component or can be its mixture.
Material is made the inventory or the bill of materials: this is in order to produce the list of materials of chemical products in the chemical industry manufacture process.The bill of materials is also referred to as " prescription ", uses in the mill.The bill of materials can comprise such chemical composition: can form new chemicals (including but not limited to polymerisation) by chemically reactive, can form physical mixture or can implement the formation that some react combination and mixture.The bill of materials also can comprise the chemical composition that can not become a chemical end-products part, for example solvent and catalyst.The manufacturing inventory of material also can comprise the material that is used to pack Chemical composition that.
The rules inventory of material: this is to be present in the chemicals of deferring in the relevant material of degree with the rules of experimental material to tabulate.The rules inventory that is appreciated that material is not true chemical analysis or the chemical standard to material, is not used in the assay usually or in other similar procedure.On the contrary, the rules inventory of material only comprises that those and rules defer to the relevant material of degree verification.Be the rules inventory of chemical products family maintenance materials, because family represents the chemical composition of chemical products.The rules inventory of material is not limited to be used in definite deferring in the degree the laws and regulations on the management standard.The rules inventory of material for example can be used for determining that to contract, the compatible treaty of shipping, storage restriction and other can be industry or company and the degree of deferring to of other rule of formulating of government organs not necessarily.
The chemistry identifier: chemical identifier identifies a kind of chemical composition uniquely, for example pure chemistry product (for example benzene, toluene, polyester etc.).In some embodiments, chemical identifier can be unique combination of letter, numeral, character, or its combination relevant with chemical composition.In some embodiments, wherein manufacturer buys proprietary mixture (being the component that mixture is not known by manufacturer) from the third party, specifies a chemical identifier can for proprietary mixture.
Chemical products family is also referred to as " family ": this is the general stock grouping of chemical products, is used for the chemical property of differentiation group chemical products.The difference in the chemical products identification that is derived from packing, manufactured place etc. is ignored in the division of family.For example, in some embodiments, " A of family " representative " acetate ", the combination of three kinds of materials: " acetate in bulk ", " acetate in 55 GPBs " and " a quart acetate in sample carrier ".All there is relevant product identifiers in every family, indicates associated main chemical substance or mixture.This product identifiers is not represented the bill of materials usually.
The component class: these are to be assigned to the chemical classification that material is made material component in the inventory.The component class can be used for filtering and makes the relevant component of material rules inventory that inventory is released from material.Following component class can be used in some embodiments: ADD (additive); BAS (basic thing); CAT (catalyst); IDM (being equal to monomer); IGN (ignoring thing); INT (initator); MON (monomer); PAC (packing); PHA (virtual material); PXL (polymer reaction loss); REA (reactant); RXL (reaction loss); SPD (product solvent); SPR (process solvent) and TAR (target).The chemical composition of deriving can be associated derivation rule with every kind of component class.For example, in some embodiments, following component class can be left in the basket in derivation: IGN (ignoring thing); PAC (packaging material) and SPR (process solvent).Below describe contact business resource planning 110 in detail the component class.
Enterprise Resources Plan 110
To describe according to Enterprise Resources Plan of the present invention now.Enterprise Resources Plan 110 can comprise the automatic production sales order registration 111 of response client to the order of product 112.Make service portion 113 responsive materials control documents, generate material and make inventory 115.Piece 111,112,113,114 and 115 is conventionally known to one of skill in the art, need not to describe in detail herein.
Some embodiments of the present invention comprise that maintenance 113 is made in correction and material manufacturing inventory 115 adds the component classification.Usually, making maintenance 113 is used for selecting materials to make the prescription that inventories 115 are provided for the manufacturing chemistry product from control of material file 114.
Assign component classification (being also referred to as " component class ") for every kind of component making BOM.Depend on chemical products to be produced, component can be assigned different component classes.For example, water can be the product solvent in some materials manufacturing inventories, can be reactant and make in inventory at other material.Thereby in some embodiments, the component class that is assigned to component can depend on chemical products to be made.In some embodiments, component can only be assigned to the single component class in the certain material manufacturing inventory.
The component class that can be assigned to the component in some embodiments of the present invention is summarized as follows:
ADD (additive material): add to during the preparation or between synthesis phase and do not react the chemicals that generates target material in basic thing material, product, polymer or other material.Additive usually has useful function.For example, titanium dioxide is a kind ofly can add the additive that makes the polyester delustring in the polyester to.In some embodiments, form during definite 120, carry the rules inventory of additive up to material.
BAS (basic thing material): basic thing material is the most important component of mixture.Additive can be added in the basic thing so that mixture to be provided in some embodiments.The base thing for example can be the component that client paid close attention to of manufacturer.Base thing examples of material is the cellulose acetate-butyrate of compo structure.In some embodiments, composition carries the rules inventory of basic thing material up to material during determining.
MON (monomer material): monomer is the reactant of polymer and the part that can become final polymer.The example of monomer comprises vinyl monomer and the propylene monomer that is used to form copolyesters.Monomer and other chemical composition (for example INT (initator), IDM (being equal to monomer) etc.) can be used for the polymer of material rules inventory in some cases in order to derivation, and this polymer can appear on the material rules inventory.
CAT (catalyst material): the material that is used to improve reaction speed or degree.In some embodiments, in case reaction finishes, catalyst can become the part (for example, if catalyst does not during reaction consume) of material rules inventory.In some embodiments, the part of the constant one-tenth composition of catalyst, but become waste material or accessory substance.If will carry catalyst up to material rules inventory, the amount of catalyst material will appear on the material manufacturing inventory as positive quantity so.
IDM (being equal to monomer material): the monomer that comprises in the polymerisation, it must be included in the polymer definition determining which kind of polymer will be produced, and its concentration in final polymer no matter.For example, some embodiments of the present invention can adopt the rule about concentration amounts, and wherein when the concentration of monomer was less than or equal to 2 percent weight, monomer was not included in the derivative of polymer to be produced.Yet,, also to consider to be equal to monomer even exist with the amount that is lower than whole monomers and other polymeric material 2 percent weight.Being equal to monomer and other chemical composition in some cases (for example monomer, initiator material etc.) can be in order to obtaining the polymer that is used for material rules inventory, and this polymer can appear on the rules inventory of material.
IGN (ignoring material): can ignore and not be listed in material on the material rules inventory for the rules purpose.For example, be used for the manufacturing chemistry product but the material do not managed can be classified as IGN.In some embodiments, this class material comprises the special clothing that the technical staff need wear during the chemical products manufacturing.For can being included in this clothing material, cost and stock purpose make on the inventory, but may to defer to degree irrelevant with definite rules.
INT (initiator material): be not the reactant that is used to make polymer that monomer still can become the polymer part.When being used to make branched polyethylene, the example of initiator material is a benzoyl peroxide.In some cases, initator and other chemical composition (for example monomer, be equal to monomer etc.) can be in order to obtaining the polymer that is used for material rules inventory, and this polymer can appear on the rules inventory of material.
PAC (packaging material) is used to pack the material of Chemical composition that.For regular purpose, packaging material are left in the basket and are not carried to material rules inventory.
PHA (virtual material): have the multiple material of unique identifier (for example bullets, production code member etc.), they can be included in the various materials manufacturing inventories that adopt virtual material identifier rather than the identifier relevant with the every kind of material that comprises virtual material thus.The use of virtual material in some embodiments of the present invention can reduce data entry.In addition, if virtual material is made change, the record of so virtual material can be updated, and the bill of materials that comprises all chemical products of this virtual material will be updated, and needn't revise each bill of materials.The example of simulation material can be one group of packaging material, for example bucket, barrel liner and lid.Another example of virtual material can be additive, initator or common other mixtures of material of using together.
PXL (polymer reaction consumable material): constitute the reaction loss relevant with polymerisation.In some embodiments, if 1000 kilograms of monomer A and 1000 kilograms of monomers B polymerizations generate 1500 kg of polymer C and 500 kilograms of waste materials, accessory substance or other does not become the material (for example water) of chemical products part, material is made inventory and is not necessarily classified waste material, accessory substance or other material as the polymerisation consumable material so.In some embodiments of the present invention, the polymerisation consumable material is illustrated with negative quantity.In some embodiments, when the gross weight calculated by monomer and other material derived polymer, deduct the weight that polymer is determined in the polymer reaction loss from the gross weight of monomer and other material.The example of polymer reaction consumable material includes but not limited to water and methyl alcohol.
REA (reactant materials): reaction forms the chemical composition of non-polymeric chemicals.The percetage by weight of reactant and used reactant can be used for the product of material rules inventory in order to derivation.As an example, ethanol and acetate are two kinds of reactants that can be used for making ethyl acetate.
RXL (reaction consumable material): constitute the reaction loss relevant with specific reaction.In some embodiments, if 1000 kilograms of reactant As and 1000 kilograms of reactant B reactions generate 1500 kilograms of product C and 500 kilograms of waste materials, accessory substance or other does not become the material (for example water) of chemical products part, material is made inventory and is not necessarily classified waste material, accessory substance or other material as the reaction consumable material so.In some embodiments of the present invention, will react consumable material and illustrate with negative quantity.In some embodiments, when calculating the gross weight of product, deduct the weight that product is determined in the reaction loss from the gross weight of reactant.In addition, when deriving the polymer that is generated by reaction in some embodiments, method and system of the present invention can relate to product and their reactants separately and the form of reactant concentration scope.On determining material rules inventory, during the concentration (for example percetage by weight) of product, can deduct the amount of reaction consumable material from the gross weight of product.The example of reaction consumable material is a water.
SPD (product solvent material): solvent or other processing aid that can become the part of made chemical products.In some embodiments, form during definite 120, carry the rules inventory of product solvent material up to material.The example of product solvent material is the water in the latex paint product.
SPR (process solvent material): solvent or other processing aid that can not become the part of made chemical products.In some embodiments, the process solvent material is that the purpose of rules is ignored, and can not appear on the material rules inventory, unless the process solvent material of trace is managed.The example of process solvent material includes but not limited to: solvent, as the water that is removed on some step during processing or hexane (for example by evaporation, decant, be separated or other method); With the compound that helps to regulate pH, as NaOH.
TAR (target material): the chemical products that needs material rules inventory.Make the uniquity on the inventory if target material is a material, material rules inventory just becomes material manufacturing inventory so.The example of target material includes but not limited to pack the quinhydrones that is used for selling again again and buys the PET of selling in order to again.The example of target material includes but not limited to simple sell again or without the chemistry outside any packing again or the physical treatment chemicals of sale again after packing again.
Component classification 116 is assigned to material makes listed material on the inventory 115, determine to wait to be listed in material on the material rules inventory 122 to allow to how to be used in information the manufacture process from component.The chemical industry manufacture process falls into one of following four classes usually:
(1) reaction: the chemical composition reaction, in the presence of catalyst and other processing aid, generate new chemicals sometimes, also have accessory substance sometimes.The example of reaction includes but not limited to the manufacturing of various acid, solvent, ester etc.In some embodiments of the present invention, for reaction, following component class appears at material and makes on the inventory: CAT, IGN, PAC, REA, RXL and SPD.
(2) mix: different chemical composition blend is formed mixture, for example the Essential Chemistry product are mixed with various additives.Product and polymer can be basic thing materials and can form mixture with other component blend.The example of mixture includes but not limited to composite plastic, chemical blend, industrial alcohol, acetate fiber etc.In some embodiments of the present invention, for mixing, following component class appears at material and makes in the inventory: ADD, BAS, IGN, PAC, SPD, SPR.
(3) polymerization: monomer is formed polymer, sometimes initator, catalyst auxiliary down and add various additives.The example of polymerization includes but not limited to the manufacturing of polyethylene and polyester.In some embodiments of the present invention, for polymerization, following component class appears at material and makes in the inventory: ADD, CAT, IDM, IGN, INT, MON, PAC, PXL, SPD and SPR.
(4) packing: the target material that has generated in bulk is packaged in bucket, bag, the box etc.For example target material can be put into packaging material.Should also be pointed out that packing can be an aspect of another chemical industry manufacture process such as reaction, polymerization and mixing.In some embodiments of the present invention, for packing, following component class appears at material and makes in the inventory: TAR and PAC.
As noted above, different processes is made at its material has specific component classification in inventory, treats the component in the manufacturing chemistry product and is listed on the material rules inventory in order to derivation.Usually the component relevant with the derivation of component in the chemical products can include but not limited to ADD, BAS, CAT, IDM, INT, MON, PXL, REA, RXL and SPD.These components are in some embodiments in order to the type of determining method and will be stored in component in the material rules inventory.Below will describe the general step of every kind of method in detail.
Return Fig. 1, the production engineer can utilize to make and safeguard that 113 create the material manufacturing inventory 115 that comprises component classification 116 (or component classes).The production engineer will have the understanding to the type of material and classification to be added.In some embodiments, can provide for chemicals manufacturer to make the details of safeguarding material in 113 or component by the supplier of material or component.In some embodiments, supplier can send material or component data electronics to chemicals manufacturer.
It will be appreciated by those skilled in the art that in some embodiments, can in the background process that the expection of response new material manufacturing inventory is produced, adopt to make and safeguard that 113 add the component classification 116 that is used for material manufacturing inventory 115.In some embodiments, can accept order 112 in foreground handle the interpolation component classification 116 of client by automatic production sales order registration 111 in response to product.
Form and determine 120
Form to determine to comprise and obtain material rules inventory 122 from material manufacturing inventory 115.Chemical composition is derived and 121 to be made inventory 115 from material and derive and be present in chemical composition the made chemical products, generates material rules inventory thus.Can adopt manual adjustments 123 in some embodiments, for impurity is regulated material rules inventory and made other correction.
The technological process of method, system and the computer program of Fig. 2 diagram some embodiments according to the present invention.Fig. 2 comprises and form to determine 120 contents and defer to degree to contrast 130 contents.
Obtain or receive material to make inventory.In some embodiments, material is made inventory and can be included but not limited to component and their amount, measurement unit, component class, subclass and aim parameter.Amount and measurement unit field are self-explantory, and the component class as mentioned above.If component is a mixture, can add component subclass field so.Can select subclass mixture is expanded to its secondary component in some embodiments.The aim parameter field is 100% usually, shows that the used component that provides all is used.In some embodiments, the aim parameter field can be lower than 100%.For example, in some embodiments, provide excess reactant to drive reaction, the aim parameter of reactant will be lower than 100% (for example 50%, 70% etc.) so, will remain component and be classified as the product loss.
When receiving material manufacturing inventory, in some embodiments of the present invention, can revise material and make inventory.In some embodiments, by removing some components and/or, creating material correction inventory 150 by some components (for example mixture or virtual material) being expanded to secondary component and/or the combination by identical component or secondary component.For example, some component classes belong to the eliminating group, are removed from the bill of materials and are not comprised in the material rules inventory thereby belong to the component of getting rid of class.In some embodiments of the present invention, owing to belong to the eliminating group, following component class can be made the inventory from material and remove: ignore material (IGN), packaging material (PAC) and process solvent material (SPR).
In some embodiments, some components are mixture and the subclass or the secondary component that can have component.Some embodiments of checking system and method for the present invention have determined whether that chemical composition is a mixture.When the combination of any chemical composition or chemical composition wherein can be the embodiment of mixture when existing, the more frequent component class that contains subclass is reactant (REA), monomer (MON) and initator (INT).In this embodiment, can create material correction inventory by the subclass that any mixture is expanded to they.In these embodiments, the component in the subclass (or secondary component) is with the constituents of a mixture on the substitution material correction inventory.When secondary component also was component, they can have the relevant information identical with component (for example, amount, measurement unit, component class etc.).All mixtures that the component of making inventory as material can be existed expand to secondary component and create material correction inventory.
Virtual material and mixture are similar, also comprise multiple component.Thereby, create material correction inventory and also can comprise with any virtual material (PHA) in the secondary component substitution material manufacturing inventory of virtual material.
Making inventory at material, not comprise any component class and any component from the eliminating group be not in the embodiment of mixture or virtual material, and material correction inventory can to make inventory identical with material.In some embodiments, be used for mixture material correction inventory can to make inventory identical with material.
Some embodiments of the present invention comprise derivation rule, for providing guidance from material manufacturing inventory or material correction inventory derivation chemical composition.Derivation rule in some embodiments also can in order to avoid chemically or physically irrational component combination and/or in order to help prevent the derivation of disturbing chemical composition.
After creating material correction inventory 150, some embodiments of the present invention comprise component on the checking material correction inventory without prejudice to any derivation rule 152.The derivation rule of any number can comprise in embodiments of the present invention.Below be the nonexcludability tabulation that can be included in the derivation rule example in some embodiments of the present invention:
(a) ADD can only be used in combination and can not use separately with BAS, MON, REA or TAR.
(b) BAS can not be used in combination with MON, REA or TAR.
(c) MON can not be used in combination with BAS, REA or TAR.
(d) IDM needs at least a monomer.
(e) INT needs at least a MON or at least a REA.
(f) PXL needs at least a MON and is necessary for negative quantity.
(g) REA can not be used in combination with BAS, MON or TAR.
(h) RXL needs at least a REA and is necessary for negative quantity.
(i) SPD can not be used in combination with TAR.
(j) TAR can not be used in combination with BAS, MON, REA or SPD.
Some embodiments of the present invention adopt above all derivation rules, and other embodiments adopt a kind of of above derivation rule or combination.In addition, some embodiments adopt all or part of and above other unlisted derivation rule of above derivation rule.
According to Fig. 2,, so similar component is made up and all measurement units is converted to the base unit of metering if in some embodiments 154, do not have derivation rule to be run counter to 152.Be lower than 100% aim parameter if any component has, can suitably the amount of this component be being deducted with component combination and before so the measurement unit conversion.
For similar component is made up 154, in some embodiments, component is the identical chemical composition with identical chemical identifier.In some embodiments, component can be that material is made the independent chuck on the inventory, also can be the secondary component that material is made mixture on the inventory.In this class embodiment, the amount of component is merged 154, and this component can be expressed as single record on the material correction inventory.
Since the amount of component and relative quantity chemicals determine and the degree of deferring to contrast in may be important, therefore in some embodiments can be with the base units of 154 one-tenths meterings of measurement unit conversion of component (for example, kilogram, gram, gallon etc.).The base unit 154 that is converted to metering helps to calculate the relative quantity of every kind of component of existence.
If material correction inventory comprises reactant, so all reactants (REA), catalyst material (CAT), reaction consumable material (RXL) and product solvent material (SPD) can both be in order to determine the rules inventory of material.Reactant (REA) and reaction consumable material (RXL) can be in order to the amounts of derivation product and product.Below will get in touch Fig. 3-5 and embodiment 3 and discuss derivation in more detail product.
If material correction inventory comprises monomer, so all monomers (MON), being equal to monomer material (IDM), initiator material (INT), catalyst material (CAT), polymerisation consumable material (PXL) and product solvent material (SPD) can both be in order to determine the rules inventory of material.Monomer (MON), be equal to monomer material (IDM), initiator material (INT), polymerisation consumable material (PXL) can be in order to the amount of derivation polymer and polymer.Below will get in touch Fig. 3-5 and embodiment 1 and 2 and discuss derivation in more detail polymer.
If production product or polymer can add product or polymer in the rules inventory of material to so in some embodiments.In addition, also the residue unreacted component from material correction inventory can be added 158 in material rules inventory in some embodiments.In some embodiments, the example of this class unreacted component comprises additive material (ADD), catalyst material (CAT) and product solvent material (SPD).If not reaction or polymerization, the component (for example ADD, BAS, TAR and/or SPD) of the material correction inventory of making a fresh start adds in the material rules inventory so in the future.When these components being added in the material rules inventory, the percentage by weight of calculating component and balance are to amounting to 100%.In some embodiments, every kind of component percentage separately is included on the material rules inventory.
After material rules inventory is finished, can be with material rules inventory and rules database contrast 160, to determine whether 162 material rules inventories meet relevant laws and regulations.The more information of determining the aspect about the present invention contrast and the degree of deferring to below will be provided in detail.
Fig. 3-the 5th, the flow chart of some embodiments of diagram the inventive method.Referring now to Fig. 3 in detail, the derivation (module 121 of Fig. 1) of chemical composition will be described.Shown in module 201, read material and make inventory 115, the component on the build-up materials manufacturing inventory is to determine to treat the composition of manufacturing chemistry product.As noted above, some embodiments of the present invention comprise the component of ignoring with special predetermined component class.In some embodiments, the component with following component class can be left in the basket: ignore material (IGN), packaging material (PAC) and process solvent material (SPR).In the module 202, in some embodiments, defer to the purpose of degree and ignore and remove component with component class in this class eliminating group for determining rules.
Can produce in some embodiments and have the material correction inventory that this class is removed component.In some embodiments, during chemical composition derivation 121, can use and revise this material correction inventory and finish and generate material rules inventory until analysis.Be noted that in some embodiments if do not make a change, material correction inventory (and material rules inventory) can comprise and the identical component of material manufacturing inventory so.
Get back to Fig. 3, heavily look into the residue component then and determine whether 203 have component to be classified as virtual material (PHA).If virtual material is arranged on the bill of materials, the secondary component with every kind of virtual material replaces 204 with it so.As noted above, in some embodiments, every kind of secondary component can have the relevant information identical with component.The secondary component of every kind of virtual material can be added in the material correction inventory.In some embodiments, if secondary component belong to the class that is excluded (for example with from module 202 identical be excluded class), this secondary component can be got rid of from material correction inventory.
In the module 205, heavily look on the material correction inventory the residue component with determined whether the residue component be mixture.In some embodiments, the component that belongs to following component class can heavily be looked into to determine whether component comprises mixture: reactant materials (REA), monomer material (MON), be equal to monomer material (IDM) and initiator material (INT).If it is mixture that component is arranged, so in some embodiments every kind of mixture is substituted 206 with its secondary component.As noted above, in some embodiments, every kind of secondary component can have the relevant information identical with component.Can mix secondary component with every kind adds in the material correction inventory.In some embodiments, if secondary component belong to the class that is excluded (for example with from module 202 identical be excluded class), this secondary component can be got rid of from material correction inventory.
As noted above, some embodiments of the present invention include the derivation rule that helps obtain the composition for the treatment of the manufacturing chemistry product.As shown in module 207 and 208, in some embodiments,, then stop to derive and marked erroneous if run counter to any derivation rule.
In module 209, heavily look into material correction inventory to have determined whether that component is a reactant materials.If it is the component of reactant materials that material correction inventory comprises at least a, can determine product 210 so.The derivation of product will be got in touch Fig. 4 and be described in detail.
In module 211, heavily look into material correction inventory and be monomer material or be equal to monomer material to have determined whether component.If it is monomer material or the component that is equal to monomer material that material correction inventory comprises at least a, can determine polymer 212 so.The derivation of polymer will be got in touch Fig. 5 and be described in detail.
If material correction inventory does not comprise any reactant materials, monomer material, is equal to monomer material, initiator material, chemical products can be a mixture so in some embodiments.
In material correction inventory, all available their the corresponding component of any polymer or product substitutes (for example REA, MON, IDM, INT etc.).With unreacted or unpolymerized component combination 213 on any polymer or product and the material correction inventory.Any identical chemical composition can be made up 213 by being added on respectively to estimate one's own ability together, and their measurement unit can be converted to basic measurement unit.Then with 214 one-tenth material rules inventories 122 of all component structures in the material correction inventory.In some embodiments, subsequently can with defer to degree contrast 130 and combine the rules inventory of heavily looking into material the degree of deferring to rules.
Now the derivation 210 of the product of some embodiments according to the present invention will be described in conjunction with Fig. 4.301 one-tenth work forms of all reactants in the material correction inventory and reaction loss accumulation are used for analyzing.Together can be by being added on any identical chemical composition combination 302 respectively to estimate one's own ability.Then the amount of reactant is changed 303 one-tenth percetages by weight.Available in some embodiments following formula calculates the percetage by weight of reactant:
Reactant weight * 100/ reactant gross weight
Can calculate the percetage by weight of every kind of reactant in some embodiments.
In case calculated the percetage by weight 303 of reactant, just search the product form in some embodiments to confirm product, this product makes from the reaction of existing identical component and with identical relative quantity.The product form can be listed every kind of product of being produced by chemicals manufacturer in some embodiments.In this class embodiment,, will be associated with product in order to this reactant or the multiple reactant of producing this product for every kind of product.In addition, the scope of percetage by weight can be associated with every kind of reactant with the required every kind of relative amounts of reactants of indication preparation product.Thus, in some embodiments of the present invention, search in the process of product form 304, when the type and the amount of reactant in the form are corresponding with product, produce coupling.In some embodiments, the amount of product can be the amount that the total amount of reactant deducts any reaction loss.In other words, the amount of reaction loss can deduct from the total amount of reactant, to draw the amount of product.
Can calculate the amount 305 of product by deduct any reaction loss (RXL) the material correction inventory from reaction-ure mixture in some embodiments.For example, if the amount of reactant amounts to 1,000 kilogram, but 200 kilograms reaction loss (for example, be derived from water, gas or will do not become the generation of other component of chemical products part) is arranged, the total amount of product will be 800 kilograms so.Make product return 306 then and further handle, as shown in Figure 3.
Now the derivation 212 of the polymer of some embodiments according to the present invention will be described in conjunction with Fig. 5.With all monomers (MON) in the material correction inventory, be equal to monomer (IDM), initator and 401 one-tenths work forms of polymerisation loss (PXL) accumulation are used for analysis.Together can be by being added in any identical chemical composition combination 402 respectively to estimate one's own ability.Then the amount of component is changed 403 one-tenth percetages by weight.When calculating is used in monomer in the denominator of percetage by weight formula and initator total amount, in some embodiments can be, be equal to the total amount of monomer and initator and deduct any polymer reaction waste from monomer.Available in some embodiments following formula calculates the percetage by weight of component:
Polymerization component weight * 100/ (polymerization component gross weight-polymer reaction loss weight)
Can calculate the percetage by weight of every kind of component in some embodiments.
In some embodiments, in case calculated the percetage by weight 403 of component, the percetage by weight of then heavy verification certificate body (MON) and initator (INT) is to determine whether they exist with the amount that is lower than 2 weight %.If monomer (MON) or initator (INT) exist with the amount that is lower than 2 weight %, so in some embodiments monomer (MON) or initator (INT) are removed 404.Do not remove in some embodiments with what the amount that is lower than 2 weight % existed and be equal to monomer (IDM).In other words, in this class embodiment, be equal to monomer (IDM) and can be included in the amount that no matter is equal to monomer (IDM) in the polymer derivation.Can implement this operation in some embodiments, because for containing the many rules of the polymer that is less than 2% additional monomers and not requiring that new rules defer to announcement.If use this " 2% regulation ", can recomputate the percetage by weight of residue component so in module 404.
In some embodiments, can search polymer form 405 to confirm polymer based on the residue component, this polymer makes from residue component and relative quantity reaction thereof.The polymer form can be listed every kind of polymer being produced by chemicals manufacturer in some embodiments.In this class embodiment, for every kind of polymer, can with in order to the monomer of producing this polymer, to be equal to monomer or initator or its combination related with polymer phase.Thus, search in some embodiments of the present invention in the process of polymer form 405, the type of monomer in form/be equal to monomers/initiator and polymer phase produce and mate at once.
In some embodiments, the polymer form can also be listed the percetage by weight scope, and the scope of this percetage by weight can be associated with every kind of component with every kind of required monomer of indication preparation polymer/be equal to relative quantity of monomers/initiator.Thus, search in this class embodiment in the process of polymer form, the type of monomer in form/be equal to monomers/initiator and amount and polymer phase produce and mate at once.
Can calculate the amount 406 of polymer by deduct any polymerisation loss (PXL) the material correction inventory from monomer (MON), the total amount that is equal to monomer (IDM) and initator (INT).For example, if the amount of monomer/be equal to monomers/initiator amounts to 1000 kilograms, but 200 kilograms polymerisation loss (for example, be derived from water, gas or will do not become the generation of other component of chemical products part) is arranged, and the total amount of polymer will be 800 kilograms so.Make polymer and other remaining unreacted component return 408 then and further handle, as shown in Figure 3.
In some embodiments, the renewal of the bill of materials and out of Memory is convenient in the present invention, and this information is based on the variation in material or the component, variation or other variation in the bill of materials.A large amount of factors all can cause this class to change.For example, in some embodiments,, will need to upgrade in the existing system data so, to reflect comprising of this additive about this component if the supplier of specific component changes the material (for example comprising additive) of supplying with manufacturer.As another example, chemicals manufacturer can revise its bill of materials and comprise additive, improves the amount of reactant, perhaps makes other change.
This class changes (for example in component, secondary component, the bill of materials) can influence other bill of materials in the system.For example the material in first bill of materials can have the associated own bill of materials.If the bill of materials to this material makes a change, all material inventory that occurs this material so also will need to upgrade.Similarly, any bill of materials that comprises first bill of materials also will need to upgrade.
Thus, in some embodiments, method of the present invention can comprise determines whether used the altered material or the altered bill of materials in the other bill of materials.If used, certain methods can comprise upgrades all bills of materials that are affected.In some embodiments, the bill of materials that is affected can upgrade automatically.In some embodiments, the bill of materials that is affected can upgrade (influence to system resource is minimized) as background process.In some embodiments, the bill of materials can real-time update (for example, when material or the bill of materials are made a change), rather than handles periodically in batches.Whether the bill of materials that some embodiments of the present invention can further comprise apprizing system user predetermined number can be affected.For example, if the lot of materials inventory will be affected, system user can be rethought the change to the material or the bill of materials so.In some embodiments, if the bill of materials of predetermined number is affected, system user then needs another people's approval to come the material or the bill of materials are made a change.
The embodiment that chemical composition is derived
Provide detailed flow chart although derived among Fig. 2-5, will provide specific embodiment to illustrate some embodiments of the present invention now for chemical composition.Be appreciated that these embodiment are illustrative, should be counted as restriction.To provide three embodiment: calculate the material rules inventory of simple aggregation thing, the material rules inventory that calculates more complicated polymer and the material rules inventory of calculating when component comprises reactant.
Embodiment 1
Set: the material of polymer A is made inventory, product identification number (product IDs) P0000100, and the 10000kg benchmark:
| Product IDs | Kind | Amount | Measurement unit | The component class | Subclass | Aim parameter |
| P0000001 | Monomer 1 | 5000 | kg | MON | - | 100.0000 |
| P0000002 | Monomer 2 | 5000 | kg | MON | - | 100.0000 |
1. reading material makes inventory and selects the component relevant with definite chemical composition.Ignore any component class in the eliminating group.For these embodiment, the eliminating group comprises following component class: IGN, PAC and SPR.The relevant component of accumulation:
P0000001 5000kgMON 100.0000
P0000002 5000kgMON 100.0000
2. the bill of materials does not comprise any virtual material (PHA) of expanding or accumulating of being used to.
3. not comprise any be the component (do not have mixture to extend to and comprise secondary component) that needs the mixture of subclass to the bill of materials.
4. the appointment of component class is without prejudice to any derivation rule.
5. component has identical measurement unit and need not from non-standard measurement unit conversion.
6. component comprises at least a monomer, thereby is used for the component that polymer derives and is:
5000kg P0000001 (pure) MON
5000kg P0000002 (pure) MON
7. obtain chemicals identifier (chemicals ID) from reference table:
| Product IDs | Kind | Purity | Chemicals ID |
| P0000001 | Monomer 1 | Pure | 1100001 |
| P0000002 | Monomer 2 | Pure | 1100002 |
5000kg P0000001 (pure) MON=5000kg 1100001 MON
5000kg P0000002 (pure) MON=5000kg 1100002 MON
8. need not the minimizing of aim parameter or the combination of same substance.
9. convert the polymeric components group to percetage by weight with following formula:
Polymeric components weight * 100/ (total polymer component weight-polymerisation loss weight)
This embodiment does not comprise any polymerisation loss.The percetage by weight of polymer group component is:
1100001 MON＝50.0000％
1100002 MON＝50.0000％
9. do not have monomer to exist in the polymeric components group, thereby do not have monomer to be removed with the amount that is lower than 2 weight %.Thereby the component group that is used for contrasting with the polymer form is:
1100001，1100002
Search the polymer form for containing 1100001 and 1100002 polymer.
| Kind | Chemicals ID | Set of monomers |
| Polymer A | 1100050 | 11000011100002 |
| Polymer B | 1100051 | 110000311000041100005 |
Polymer A (chemicals ID110050) is the polymer that comprises set of monomers 1100001 and 1100002.
10. material correction inventory does not comprise any non-reactant component, thereby does not have to add to the component in the material rules inventory.
11. the composition that will finally derive writes material rules inventory and following illustrating:
| Product IDs | Chemicals ID | Kind | Amount | Measurement unit |
| P0000100 | 1100050 | Polymer A | 100.0000 | Weight % |
Embodiment 2
Set: the material of polymer B is made inventory, product identification number (product IDs) P0000200, and the 10000kg benchmark:
| Product IDs | Kind | Amount | Measurement unit | The component class | Subclass | Aim parameter |
| P0000003 | Monomer 3 | 3000 | Kg | MON | 100.0000 | |
| P0000004 | Monomer 4 | 2401 | Kg | MON | 002 | 100.0000 |
| P0000005 | Monomer 5 | 99 | Kg | IDM | 100.0000 | |
| P0000006 | Water | 500- | Kg | PXL | 100.0000 | |
| P0000007 | Catalyst | 10 | Kg | CAT | 100.0000 | |
| P0000008 | The process solvent | 200 | Kg | SPR | 100.0000 | |
| P0000009 | Product solvent 1 | 4990 | Kg | SPD | 100.0000 | |
| P0000014 | Bucket | 1000 | Ea | PAC | 100.0000 |
1. reading material makes inventory and selects the component relevant with definite chemical composition.Ignore any component class in the eliminating group.For these embodiment, the eliminating group comprises following component class: IGN, PAC and SPR.Do not comprise that process solvent (product IDs P0000008) is because it has SPR (process solvent) component class.Do not comprise that bucket (product IDs P0000014) is because it has PAC (packaging material) component class.Water on this bill of materials (product IDs P0000006) is the polymerisation loss and illustrates with negative quantity.The relevant component of accumulation:
P0000003 3000 Kg MON 100.0000
P0000004 2401 Kg MON 002 100.0000
P0000005 99 Kg IDM 100.0000
P0000006 500- Kg PXL 100.0000
P0000007 10 Kg CAT 100.0000
P0000009 4990 Kg SPD 100.0000
2. the bill of materials does not comprise any virtual material (PHA) of expanding or accumulating of being used to.
3. to comprise be the component of the mixture that should be expanded to the bill of materials.Because monomer 4 (product IDs P0000004) comprises subclass (subclass 002), so monomer 4 is mixtures.In some embodiments of the present invention, there is a cover form, wherein stores the component (or secondary component) of the every kind material relevant, if the material polymerization on the bill of materials is then also stored together with subclass with the material component inventory.Form to product IDs P0000004/ subclass 002 is:
| Product IDs | Chemicals ID | Kind | The component class | Weight % |
| P0000004 | 1100004 | Monomer | MON | 99.9900％ |
| P0000004 | 1100016 | Additive | ADD | 0.0100％ |
The following classification of secondary component of monomer 4 (P0000004):
What exist with 99.9900 weight % 1100004 is MON
What exist with 0.0100 weight % 1100016 is ADD
So, owing to have 2401kg monomer 4 and adopt these percetages by weight, thereby have 2400.7599kg monomer (chemicals ID 1100004) and 0.2401kg additive (chemicals ID 1100016).
4. the appointment of component class is without prejudice to any derivation rule.
5. component has identical measurement unit and need not from non-standard measurement unit conversion.
6. component comprises at least a monomer, thereby is used for the component that polymer derives and is:
3000kg P0000003 (pure) MON
2400.7599kg P0000004 (pure) MON
99kg P0000005 (pure) IDM
500-kg P0000006 (pure) PXL
The secondary component of product IDs P0000004 is separately considered.Monomer part (2400.7599kg1100004) is used for polymer derives, but do not use additive partly (0.2401kg1100016).
7. obtain chemicals identifier (chemicals ID) from reference table:
| Product IDs | Kind | The component class | Purity | Chemicals ID |
| P0000003 | Monomer 3 | MON | Pure | 1100003 |
| P0000004 | Monomer 4 | MON | Pure | 1100004 |
| P0000005 | Monomer 5 | IDM | Pure | 1100006 |
| P0000006 | Water | PXL | Pure | 1100007 |
3000kg P0000003 (pure) MON=3000kg 1100003 MON
2400.7599kg P0000004 (pure) MON=2400.7599kg 1100004 MON
99kg P0000005 (pure) IDM=99kg 1100006 IDM
500-kg P0000006 (pure) PXL=500-kg 1100007 PXL
8. need not the minimizing of aim parameter or the combination of same substance.
9. convert the polymeric components group to percetage by weight with following formula:
Polymeric components weight * 100/ (total polymer component weight-polymerisation loss weight)
This embodiment comprises the polymerisation loss.Polymerisation waste (500-kgP0000005) is deducted from polymeric components group gross weight, thereby the gross weight of polymeric components group is 4999.7599kg.And, when the polymer reaction loss being used to calculate the gross weight of polymeric components group and be used for determining percetage by weight, the polymer reaction loss is not the part of polymeric components group and is not used in affirmation polymer (except the polymerisation loss reaches the degree that influences percetage by weight).The percetage by weight of polymer group component is:
1100003 MON＝(3000/4999.7599)×100＝60.0029％
1100004 MON＝(2400.7599/4999.7599)×100＝48.0175％
1100005 IDM＝(99/4999.7599)×100＝1.9801％
Do not have monomer (MON) to exist in the polymeric components group, thereby do not have monomer to be removed with the amount that is lower than 2 weight %.Do not have initiator material to exist in the material correction inventory, thereby do not have because of there is the material that need be removed with the amount that is lower than 2 weight %.Being equal to monomer (IDM) exists with the amount that is lower than 2 weight %.Yet its amount so that monomer (IDM) is not removed and is included in the polymeric components group amount that is lower than 2 weight % being equal to of existing and no matter in this embodiment.Thereby the polymeric components group that is used for contrasting with the polymer form is:
1100003，1100004，1100005
Search the polymer form for containing 1100003,1100004 and 1100005 polymer.
| Kind | Chemicals ID | Set of monomers |
| Polymer A | 1100050 | 11000011100002 |
| Polymer B | 1100051 | 110000311000041100005 |
Polymer B (chemicals ID110051) is the polymer that comprises set of monomers 1100003,1100004 and 1100005.
10. remaining unreacted component is added in the material correction inventory.These components are:
P0000007 10kg CAT 100.0000
P0000009 4990kg SPD 100.0000
P0000004 0.2401kg ADD 100.0000
0.2401 the kilogram additive is the result of monomer 4 (product IDs P0000004) as mixture (2401 kilograms of P0000004 that contain the ADD of 0.0100 percetage by weight).The unit of every kind of component is all identical in the material correction inventory, thereby does not need the measurement unit changed.
11. obtain the chemicals identifier (chemicals ID) of unreacted component from reference table:
| Product IDs | Kind | The component class | Purity | Chemicals ID |
| P0000007 | Catalyst | CAT | Pure | 1100008 |
| P0000009 | Product solvent 1 | SPD | Pure | 1100010 |
| P0000004 | Additive | ADD | Pure | 1100016 |
10kg P0000007 (pure) CAT=10kg 1100008 CAT
49990kg P0000009 (pure) SPD=4990kg 1100010 SPD
0.2401kg P0000004 (pure) ADD=0.2401kg 1100016 ADD
12. will comprise the residue component accumulation of polymer, additive, catalyst and product solvent material, obtain final material correction inventory:
4999.7599kg 1100051
10kg 1100008
4990kg 1100010
0.2401kg 1100016
Convert percetage by weight to 13. will remain the amount of component.Final material correction inventory is write material rules inventory and following illustrating:
| Product IDs | Chemicals ID | Kind | Amount | Measurement unit |
| P0000200 | 1100051 | Polymer B | 49.9976 | Weight % |
| P0000007 | 1100008 | Catalyst | 0.1000 | Weight % |
| P0000009 | 1100010 | Product solvent 1 | 49.9000 | Weight % |
| P0000004 | 1100016 | Additive | 0.0024 | Weight % |
Embodiment 3
Set: the material of products C is made inventory, product identification number (product IDs) P0000300, and the 10000kg benchmark:
| Product IDs | Kind | Amount | Measurement unit | The component class | Subclass | Aim parameter |
| P0000010 | Chemicals 1 | 8000 | Kg | REA | 004 | 100.0000 |
| P0000011 | Chemicals 2 | 3000 | Kg | REA | 100.0000 | |
| P0000012 | Chemicals 3 | 1000- | Kg | RXL | 100.0000 | |
| P0000013 | Catalyst (bed) | 10 | Kg | IGN | 100.0000 |
1. reading material makes inventory and selects the component relevant with definite chemical composition.Ignore any component class in the eliminating group.For these embodiment, the eliminating group comprises following component class: IGN, PAC and SPR.Do not comprise that catalyst bed (product IDs P0000013) is because it has IGN (ignoring material) component class.Chemicals 3 on this bill of materials (product IDs P0000012) is the reaction consumable material and illustrates with negative quantity.The relevant component of accumulation:
P0000010 8000 kg REA 004 100.0000
P0000011 3000 kg REA 100.0000
P0000012 1000- kg RXL 100.0000
2. the bill of materials does not comprise any virtual material (PHA) of expanding or accumulating of being used to.
3. to comprise be the component of the mixture that should be expanded to the bill of materials.Because chemicals 1 (product IDs P0000010) comprises subclass (subclass 004), so chemicals 1 is a mixture.Have a cover form in some embodiments of the present invention, wherein the component (or secondary component) of every kind of material that storage is relevant with the material component inventory if the material on the bill of materials reacts, is then also stored together with subclass.Form to product IDs P0000010/ subclass 004 is:
| Product IDs | Chemicals ID | Kind | The component class | Weight % |
| P0000010 | 1100017 | Chemicals 14 | REA | 50.0000％ |
| P0000010 | 1100018 | Product solvent 2 | SPD | 50.0000％ |
The following classification of secondary component of chemicals 1 (P0000010):
What exist with 50.0000 weight % 1100017 is REA
What exist with 50.0000 weight % 1100018 is SPD
So, owing to have 8000kg chemicals 1 and adopt these percetages by weight, thereby have 4000kg chemicals 4 (chemicals ID 1100017) and 4000kg product solvent 2 (chemicals ID 1100018).
4. the appointment of component class is without prejudice to any derivation rule.
5. component has identical measurement unit and need not from non-standard measurement unit conversion.
6. component comprises at least a reactant, thereby is used for the component that product derives and is:
4000 kg P0000010 (pure) REA
3000 kg P0000011 (pure) REA
1000-kg P0000012 (pure) RXL
The secondary component of product IDs P0000010 is separately considered.Reactant part (4000kg1100017) is used for product derives, but do not use product solvent partly (4000kg1100018).
7. obtain chemicals identifier (chemicals ID) from reference table:
| Product IDs | Kind | The component class | Purity | Chemicals ID |
| P0000010 | Chemicals 4 | REA | Pure | 1100017 |
| P0000011 | Chemicals 2 | REA | Pure | 1100013 |
| P0000012 | Chemicals 3 | RXL | Pure | 1100014 |
4000 kg P0000010 (pure) REA=4000 kg, 1100017 REA
3000 kg P0000011 (pure) REA=3000 kg, 1100013 REA
1000-kg P0000012 (pure) RXL=1000-kg 1100014 RXL
8. need not the minimizing of aim parameter or the combination of same substance.
9. will react the component group with following formula and convert percetage by weight to:
Reactant weight * 100/ reactant gross weight
The percetage by weight of reactant is:
1100017 REA＝(4000/7000)×100＝57.1429％
1100013 REA＝(3000/7000)×100＝42.8571％
9. search the product form for the product that contains these two kinds of reactants (1100017 and 1100013).In addition, in this embodiment, the product form comprises and every kind of percetage by weight scope that reactant is relevant.When setting up coupling, in the allowed band that reactant must be stipulated in form:
| Kind | Chemicals ID | Set of monomers | Weight % scope |
| Product C | 1100052 | 1100013 1100017 | 〉=30 and≤50 〉=50 and≤70 |
| Product D | 1100053 | 110001311000171100025 | 〉=20 and≤30 〉=50 and≤70 〉=5 and≤30 |
Product C (chemicals ID 1100052) is a kind of product, comprises reactant 1100013 and comprises reactant 1100017 with the amount of 50-70 weight % with the amount of 30-50 weight %.
10. will react waste in the deterministic process takes into account.Thereby, the reaction waste is deducted from the total amount of reactant.In this embodiment, generate 6000 kilograms of product (7000kg1100017 and 1100013 deducts 1000kg reaction loss).
11. remaining unreacted component is added in the material correction inventory.This unique component is:
P0000010 4000kg SPD
4000 kilograms of product solvents 2 are chemicals 1 (product IDs P0000010) results as mixture (4000 kilograms of P0000010 that contain the SPD of 50.0000 percetages by weight).The unit of every kind of component is all identical in the material correction inventory, thereby does not need the unit that changes.
12. obtain the chemicals identifier (chemicals ID) of unreacted component from reference table:
| Product IDs | Kind | The component class | Purity | Chemicals ID |
| P0000010 | Product solvent 2 | SPD | Pure | 1100018 |
4000kg P0000010 (pure) SPD=4000kg 1100018 SPD
13. will comprise the residue component accumulation of product and product solvent material, obtain final material correction inventory:
6000kg 1100052
4000kg 1100018
Convert percetage by weight to 14. will remain the amount of component.Final material correction inventory is write material rules inventory and following illustrating:
| Product IDs | Chemicals ID | Kind | Amount | Measurement unit |
| P0000300 | 1100052 | Chemicals C | 60.0000 | Weight % |
| P0000010 | 1100018 | Product solvent 2 | 40.0000 | Weight % |
Defer to degree contrast 130: summary
In case obtain material rules inventory, can check that in some embodiments the rules of material rules inventory are deferred to degree.The material rules inventory 122 of response automatic production sales order registration 111 and corresponding response automatic production sales order registration 111, rules are deferred to degree verification 133 chemical composition 122 are compared to determine to defer to degree with a cover administrative law rule standard of storage, and this standard is included in the rules database 131 and by rules database maintenance 132 and safeguards.Before detailed description is deferred to degree contrast 130, defer to the background of degree and the general standard that will defer to describing rules.
American chemical industry is subjected to the control of many laws, includes but not limited to TSCA, RCRA, SARA, CDTA, FIFRA, FFDCA.There are many similar laws in other country, and the chemicals that will can be used for commercial use is controlled in the scope of these laws.The general introduction of these laws will be provided now:
TSCA (Toxic Substances Control Act) (TSCA))
TSCA is the complicated law of a cover, and all chemicals (comprising polymer) are defined as " existing " or " new ".Existing chemicals is those chemicals in the tabulation that is called the TSCA inventory.Existing chemicals or the file when issue by TSCA or announce by preproduction from that time places on the inventory.Existing chemicals can be used for (some exception) any commercial application.On the other hand, new chemicals must have Environmental Protection Administration (EnvironmentalProtection Agency) (EPA) heavily to look into usually and go through before commercial the application being used for.This heavy process of looking into is called preproduction announcement (PreManufacture Notification) (PMN).
Thereby the first aspect that rules are deferred to degree verification 133 is that all chemicals (the perhaps all components of mixture) of guaranteeing to use, make or sell in the U.S. are all on the TSCA inventory.This can be by determining product composition and with they with rules database 131 on the TSCA inventory computerization tabulation of chemicals contrast and realize.
For all chemicals of listing on the TSCA inventory some exemptions are arranged.An exemption is that TSCA research and development (Research and Development) is exempted.This exemption company that stipulates need not to do the preproduction circular for any chemicals that only is used to research and develop purpose.Yet, for must how to handle and to manage these chemicals restricted.Briefly, only otherwise conclude the business, can use, sample preparation even evaluation study and exploitation chemicals.Thereby, must check to these ordering of the chemicals on the TSCA inventory not, to guarantee that only specific consumers can be ordered them.Approved client and this R﹠amp; Contact between the D product can be deferred in the degree verification 133 in rules and be set up, and stops the order by not approved client's registration.
TSCA is on the other hand when manufacturer supplies specific any listed chemicals sample or is sold to another country first, at every turn all must circular EPA.Follow the tracks of a large amount of these class chemicals and in countries up to a hundred, be difficult.Making this require more difficult is that these rules do not have lower limit for impurity and additive.Thereby, importantly know the definite composition of each and every kind of product, thereby make suitable circular.
Another aspect of TSCA is that EPA can require to contain or the data of the chemicals made with particular chemicals when it needs.In order to determine the reliability of its report, manufacturer may need to differentiate any product that contains these chemicals.This aspect can not cause order to stop, and forms data to determine making which kind of report but can depend on.
Canada, European Union, Australia, Japan, China, South Korea and Philippine have all issued similar law.By check oceangoing ship come state and oceangoing ship go state the two and contrast each national inventory, rules are deferred to degree verification 133 and are matched with all these countries.Usually, all these inventories can be different.
Federal insecticide, bactericide and rat-bane method (Federal Insecticide Fungicide andRodenticide Act) are (FIFRA)
Pesticide is by FIFRA rather than the control of general TSCA method.Thereby rules are deferred to degree verification 133 and are differentiated it is any material or the product of pesticide, and check that they are to the degree of deferring to of pesticide law in the world.By the material sign being connected with client's location number the sales restriction of pesticide can being arrived specific consumers, if other client attempts to order limited chemicals then can be prevented from.
Chemicals transfer and cambiale jus (Chemical Diversion and Trafficking Act) are (CDTA)
Medicine mandatory administration office (Drug Enforcement Administration) (DEA) manages CDCA.This laws and regulations requirement manufacturer safeguards specific record, setting up for the approved client's tabulation of particular chemicals, circulating a notice of any new potential customer and when DEA investigates them, to keep their order 15 days to DEA immediately, and circular and keep all outlet ports order to those particular chemicals.Rules are deferred to degree verification module 133 can guarantee that all clients of these chemicals go through before transporting.
Chemical Weapons Convention (Chemical Weapons Convention) (CWC)
This treaty is forbidden exploitation, production, storage and the use of chemical weapons.This treaty does not forbid being used for production, processing, consumption or the transaction of the relevant chemicals of peaceful purpose, but it has been set up check mechanism and guarantees that this class activity defers to the target and the purposes of this treaty all the time.In some embodiments, rules are deferred to the ability that degree verification module can comprise that restriction CWC chemicals is sold.
The specific consumers chemicals
Rules are deferred to degree verification module can also arrive one or more specific consumers with the sales restriction of any chemicals.When producing chemicals,,, then can use this regulation if perhaps manufacturer and client reach the sale that agreement limits this chemicals in addition if this chemicals is obeyed the agreement of maintaining secrecy for client's outsourcing.
Rules database 131 comprises the tabulation of the chemicals that is subjected to these various regulations controls.These databases can be provided by the external supplier, perhaps generate in inside by the research rules.The example of some embodiments of rules database is shown among Fig. 6.Because the present invention is independent of the details of rules database 131, thereby need not to provide the detailed description to each database.Detailed description to rules database such as TSCA database can be found in national list of chemicals (National ChemicalInventories), this inventory can obtain from Chemical Abstracts Service, is incorporated herein its content herein as a reference.
To be provided for rules now and defer to the general introduction of some embodiments of the business rules of degree verification 133.These embodiments of rule can be included in the rules database 131 (Fig. 6) and be safeguarded and upgraded (Fig. 1 module 132) by the rules database maintenance.
1. client locatees: the Enterprise Resources Plan computer product as SAP, can comprise client's location code 528.Yet this client's location code 528 can comprise than definite rules defers to the required more details of degree, so that common " city orientation " client several 530 can use in some embodiments.
2. stipulate city 502,504 and 512.This tabulation comprises the country of the rules of the import with chemicals of issuing the management spanning national boundaries.If the regulation oceangoing ship does not come state or oceangoing ship to go to state, so this state is not required the rules inspection.This rule comes state and oceangoing ship to go to state all to check to the oceangoing ship on the order.
3. list of chemicals 506,508.There is the legal import chemicals tabulation of themselves announcement in major part heavy industry country.Enter one of those countries as fruit product, the chemical composition of product must be all in the approval chemicals tabulation of this state so.In the U.S., approval chemicals tabulation be encompassed in " harmful substance control method " (TSCA) under.
4. restriction chemicals tabulation 524.There are some chemicals restrictions to be assigned to the country that has established the rule outside the list of chemicals.In these rules some stop transporting of country/client, and other then allow transporting under given conditions:
If a. chemicals is the FDA restriction, client must buy this chemicals through approval so.
If b. chemicals is the DEA restriction, client must buy this chemicals through approval so.
If c. chemicals is that ozone expends agent, may not allow to transport.
If d. chemicals is a chemical warfare reagent, then do not allow to transport.
If e. chemicals is labeled as and only is used for the research and development scope, make inspection so and limit the quantity of to determine whether suitable year or cumulative volume.If, so this chemicals volume of ordering as calculated is added on separately the accumulator, limit the quantity of unless surpassed this.
If f. chemicals has year or cumulative volume is limited the quantity of, as carry out identical inspection among the above 2e and add and.Attention: research and development is limited the quantity of commerce limited the quantity of normally and is got rid of mutually.
If g. chemicals is under an embargo, it is in a country rather than is under an embargo in alliance.If this chemicals goes to be under an embargo in the state at oceangoing ship, then do not allow to transport.
5. outlet circular tabulation 514.U.S. government has two parts of list of chemicals to manage to export to other national chemicals.A tabulation is a year outlet traffic list (Annual ExportNotification List).If in the period of this chemicals in this part tabulation is transported to any country, EPA requires formally to circulate a notice of when transporting for the first time every year.Another part tabulation is once to export circular tabulation (One-Time Export Notification List), whenever the chemicals in this part tabulation is transported to any country if this is meant, EPA requirement manufacturer writes down for the first time and formally circulates a notice of when transporting.These circulars can be used as automated facsimile and are sent to EPA.Logic can avoid transmitting false circular: unusual if logic detection is taken office the order of its type what, then do not transmit circular.
6. state rules.Although not shown among Fig. 6, there are their rules in some states, can be used for some chemical products.For example, New York (U.S.) has a chemicals tabulation, requires to register this chemicals/jar with the New York client of jar these chemicals of storage in bulk in state government.If chemical composition is in this NYBS tabulation, client locatees and must locate through ratifying so, to remove order.
7. the restrict sales product 532.Can limit production marketing to any client for the management strick precaution.Because this inspection is applicable to product but not chemical composition, thereby the GMN520 of family is labeled as restrict sales.Client must be connected with the GMN of family and go through to allow to sell.
8. transport compatibility 510.If chemicals will transport, so all products on the order are transported the compatibility inspection in subregion oil truck/truck.Keep the compatibility of chemical class, describing which class in detail is dangerous for mixing.Upgrade the GMNs520 of family with suitable chemical class, check allowing to.
Rules are deferred to the details of degree verification module 133
Referring now to shown in Fig. 7 A, 7B and the 7C of common pie graph 7, the concrete operations that the rules of describing Fig. 1 are deferred to degree verification module 133.As shown in Figure 7, whether response order registration 111 has chemical composition at 601 pairs of products of module and tests.If NO, indication unusual (module 135) and end operation.
Get back to module 601, have active constituent, whether stipulated that 602 pairs of modules oceangoing ship comes state to test so as fruit product.Whether this test determines to transmit the country of order by the legal provisions such as TSCA.Come state if stipulated oceangoing ship, come whether to be restricted in the state at oceangoing ship at 603 pairs of chemicals of module so and test.Especially, if some chemicals are subjected to other legal management of implementing simultaneously, there is the country of inventory also can from inventory, remove them so.Example is for being used for food, medicine, cosmetics, pesticide, tobacco, nuclear energy and chemicals.These are delivered to module 604 be used for restriction inspection.To describe this restriction inspection in detail in conjunction with Fig. 8.
If the test result of module 603 is NO, whether on coming the inventory of state, tests in oceangoing ship at 604 pairs of chemicals of module so.If it is be NO, unusual in module 135 indications.If be YES, go to state whether to be restricted at 607 pairs of chemicals of module at oceangoing ship so and test.If be YES, carry out the restriction inspection of Fig. 8 in module 604.If be NO, then in module 608, whether chemicals on removing the inventory of state, is tested in oceangoing ship, if be NO, then generate unusual 135.
Then to the description of Fig. 7, whether restrict sales is tested in 610 pairs of families of module subsequently.Especially, manufacturer has many reasons to limit the client who only particular chemicals is sold to selection.A reason can be that agreement is produced in outsourcing.Other reason can be to limit only to be used for using safely the client of this chemicals and only to be used for the Secure Application field.Another restriction can be the agreement of maintaining secrecy.Another restriction can be the agreement of only supplying this chemicals for this client of reaching with client.Thereby sales restriction can be based on rules but can be based on the strategy or the agreement of manufacturer.
If family is limited to sell in module 610, whether exist family or client's cross reference to test 609 pairs of modules, this cross reference lies in specific consumers with this restriction.If be NO, produce unusual in module 135 so.If be YES, then whether restrict sales is tested 611 couples of clients of module.If be YES, produce unusual in module 135.
Whether will in subregion oil truck or truck, transport 620 pairs of modules then and test.If be YES, 621 pairs of chemicals of module compatible test whether.If not, in module 135, produce unusual.
Whether the test of module 622 is determined to have produced in any aforesaid operations unusually.If be YES, can indicate this unusual.Alternately, make modification in module 136.Particularly, expert system and rules can be deferred to degree verification module 133 unites to make and is used for suggestion to the modification of material rules inventory 122, so that chemicals is up to specification.For example, can advise not going the substitute material of the component in the mixture in the existing list of substances of state at oceangoing ship.Alternately, the composition information in the database can be used for the amount of definite SARA chemicals that has now or throw aside in the factory site.Composition information can be used for the control report of RCRA refuse and EPCRA releaser.Also can regularly heavily look into the composition information and the bill of materials and become more eco-friendly method, i.e. " Green Chemistry " to seize the opportunity.Thereby, not that only mark is unusual, but can proposed amendments 136.
Follow description to Fig. 7, if not unusual, then at module 623 on-demand update R﹠amp; D or commercial exchange hand accumulator (volume accumulator).Then, whether be to be transported to foreign country from the U.S. to implement the inspection of outlet circular in module 624 by the inspection chemicals.Especially, TSCA the 12nd joint (b) requires will circulate a notice of EPA in some cases when specifying chemicals to export to various countries first, and is annual sometimes, sometimes once.Referring to 40 CFR 707.65, defer to the chemicals of TSCA the 4th joint regulation each country is only circulated a notice of once.Deferring to other chemicals of TSCA the 5th or the 6th joint regulation circulates a notice of once each country is annual.Thereby, defer to regulation at 625 pairs of chemicals of module (whether) and test.If be YES, whether this country had been circulated a notice of to test in module 626.If be NO, then generate sign is circulated a notice of in outlet circular and the renewal outlet of EPA at module 627 establishment circular letters.
Get back to module 625,, then whether in other control tabulation, test at 628 pairs of chemicals of module if be NO.If be YES, then whether once tested, and can send circular in module 627 by circular in 629 pairs of countries of module.
Referring now to shown in Fig. 8 A and the 8B of pie graph 8, the step (module 604 of Fig. 7) that restriction is checked is described.Whether only being used for the FDA field at 701 pairs of chemicals of module tests.Especially, the chemicals that is used in food, medicine and the cosmetics is subjected to FederalFood in the U.S., Drug ﹠amp; The control of Cosmetic Act (FFDCA) also is subjected to the control of similar law in other country.In other country, they are exempted in TSCA and similar law.Thereby, be to be used for food, medicine, cosmetics or this type of is used with the inspection of module 701 in order to guarantee that client orders this chemicals.The FFDCA rules are at the 21st piece of federal code (the Code of FederalRegulations).If module 701 is YES, then whether ratifies client and be used for FDA and test 702 pairs of modules.If not, then create unusual in module 135.
If at module 701 these chemicals is not only to be used for FDA, then whether be subjected to forbidding testing in a state at 703 pairs of chemicals of module.If be YES, then create unusual in module 135.
Whether be that ozone expends agent and tests at 704 pairs of these chemicals of module then.Montreal Protocol is international treaties, proposes to reduce the discharging that ozone expends material, and for example some freon avoid further reducing the ozone in the atmosphere.Code of Federal Regulations is positioned at the 40th piece of the 82nd part of federal code.
Whether be that chemical warfare reagent is tested at 705 pairs of these chemicals of module then.Chemical Weapons Convention is forbidden exploitation, production, storage and the use of chemical weapons.This treaty does not forbid being used for production, processing, consumption or the trade of the relevant chemicals of peaceful purpose, guarantees that this class activity defers to the target and the purposes of this treaty all the time but set up check mechanism.
Referring now to module 706, whether be that the necessary medicine precursor is tested to this chemicals.Medicine mandatory administration office (Ministry of Justice) allows to be used to make and process the outlet of the particular chemicals of drawing medicine.Referring to 21 CFR 1300 with and inferior etc.If be YES, whether ratify client 707 pairs of modules so and use the prodrug chemicals to test.If not, in this order of module 708 marks 15 days and circulate a notice of DEA.
Referring now to module 709, whether this chemicals only is used for research and development (R﹠amp; D) test.TSCA is specially 40 CFR710.4 (c) (3), exempts the particular chemicals that is listed on the commercial chemical material country inventory under specific circumstances.Other rules have same way.Frequently, the R﹠amp that restriction can be manufactured; The D amount of substance.In module 709, if this chemicals only is used for R﹠amp; D goes at oceangoing ship whether R﹠amp is arranged in the area at 710 pairs of these chemicals of module so; D year limits the quantity of and tests.If be YES, whether limit the quantity of in 711 pairs of amounts of ordering of module and to test greater than this year.If be YES, then create unusual in module 135.If be NO, go whether to have in the state accumulation to limit the quantity of at 712 pairs of these chemicals of module at oceangoing ship and test.If be YES, in module 713, whether the amount of ordering exceeded this accumulation and limit the quantity of and test.If be YES, then mark is unusual.
Referring now to module 714, whether this chemicals is had commercial manufacturing/import limit the quantity of and test.Some countries can limit R﹠amp; The import of D chemicals or manufacturing.Some countries or economic zone can be to the amount dielectric imposed limits of the chemicals that can make or be used for commercial object, submit to associated mechanisms and go through up to toxicity or characteristic test.These restrictions can be year and accumulation simultaneously.Thereby, if there is accumulation to limit the quantity of, in module 717, the amount of ordering is tested so, if be YES, create unusual 135.
Various embodiment of the present invention has been described in the realization of all types of target of the present invention.Will be appreciated that these embodiments only are the illustrative of the principles of the inventions.Many modification and changes to them all will be very obviously and without departing from the spirit and scope of the present invention to those skilled in the art.Other embodiment also is fine, and can be more practical for different application.
Claims (71)
1. a derivation is present in the method for the treatment of the chemical composition in the manufacturing chemistry product, comprises the following step of implementing in data handling system:
Obtain the inventory of the material that comprises the component that is used for the manufacturing chemistry product;
Determined whether that any component comprises secondary component;
On material correction inventory, replace comprising any component of secondary component with secondary component; And
Derive from material correction inventory and to be present in chemical composition the made chemical products.
2. the described method of claim 1, wherein deriving from material correction inventory is present in the chemical composition for the treatment of the manufacturing chemistry product and comprises from component and secondary component and determine chemical composition.
3. the described method of claim 2 wherein determines that from component and secondary component chemical composition comprises at least a product of determining between at least two kinds of components and the secondary component.
4. the described method of claim 2, wherein definite this at least a product comprises compares the concentration of two kinds of components and secondary component and component and secondary component at least with a plurality of product, wherein every kind of product has at least two kinds of components and secondary component and associated concentration range.
5. the described method of claim 4, wherein every kind of unique combination that product has associated component, secondary component and concentration range.
6. the described method of claim 3 further comprises the material rules inventory that formation comprises product and any unreacted component and secondary component.
7. the described method of claim 6, wherein unreacted component and secondary component comprise at least a in additive and the solvent.
8. the described method of claim 3 determines that wherein at least a product between at least two kinds of components and the secondary component further comprises the amount of determining this at least a product.
9. the described method of claim 8, the amount of wherein determining this at least a product comprises from the component that is reacted and the total amount deduction reaction waste of secondary component.
10. the described method of claim 9 is wherein reacted the amount that waste comprises byproduct of reaction, and described accessory substance does not constitute the part of made chemical products.
11. the described method of claim 2 wherein determines that from component and secondary component chemical composition comprises at least a polymer of determining based on the polymerization of at least a component or secondary component.
12. the described method of claim 11, wherein this at least a component or secondary component comprise monomer.
13. the described method of claim 11, wherein definite this at least a polymer comprises compares this at least a component or secondary component with multiple polymers, and wherein every kind of polymer has associated at least a component or secondary component.
14. the described method of claim 13, wherein every kind of polymer has associated unique component, secondary component or component and the combination of secondary component.
15. the described method of claim 11 further comprises formation and comprises polymer and any non-polymeric component and the material rules inventory of secondary component.
16. the described method of claim 15, wherein unpolymerized component and secondary component comprise at least a in additive and the solvent.
17. the method shown in the claim 11 determines that wherein at least a polymer further comprises the amount of determining this at least a polymer.
18. the described method of claim 17 determines that wherein the amount of this at least a polymer comprises from the total amount deduction polymerisation waste of the component and the secondary component of institute's polymerization.
19. the described method of claim 9, wherein the polymerisation waste comprises the amount of polymerisation accessory substance, and described accessory substance does not constitute the part of made chemical products.
20. the described method of claim 1 further comprises any component or the secondary component combination that will be identical chemicals.
21. the described method of claim 20, wherein every kind of component and secondary component have associated amount, and any component or secondary component combination are comprised combination component and the secondary component that adds this amount.
22. the described method of claim 1, the laws and regulations on the management standard that a cover that further comprises the chemical composition that will derive and storage relates to chemical composition contrasts, to determine to defer to degree.
23. the described method of claim 1, wherein the chemical composition of the deriving cover administrative law rule standard contrast with storage is comprised: the laws and regulations on the management standard that the chemical composition and a cover of storage of deriving are managed made chemical products manufactured place contrasts; And with the chemical composition of derivation and a laws and regulations on the management standard contrast of overlapping the made chemical products of management destination of storage.
24. the described method of claim 1 further comprises against regulation chemical products is implemented modification so that this chemical products to be made becomes up to specification.
25. the described method of claim 1, wherein every kind of component and secondary component comprise additive, basic thing, catalyst, monomer, reactant or solvent.
26. the described method of claim 1, wherein at least a component or secondary component comprise chemical intermediate or waste material.
27. the described method of claim 1, wherein at least a component comprises catalyst, the solvent that does not become a made chemical products part or packaging material.
28. the described method of claim 27, further being included in derives is present in before the chemical composition in the made chemical products, removes any catalyst, any solvent and any packaging material that do not become a made chemical products part from material correction inventory.
29. the described method of claim 1, wherein at least a component or secondary component have the associated bill of materials.
30. a derivation is present in the method for the treatment of the chemical composition in the manufacturing chemistry product, comprises the following step of implementing in data handling system:
Obtain the bill of materials that comprises the chemical composition for the treatment of the manufacturing chemistry product;
Determined whether that chemical composition comprises secondary component;
On material correction inventory, replace comprising the chemical composition of secondary component with secondary component;
Specify the component class for every kind of component and secondary component, this component class comprises following at least a: basic thing, additive, reactant and monomer; And
Derive from material correction inventory and to be present in chemical composition the products made thereby.
31. the described method of claim 30 further comprises the predetermined combinations that verification material correction inventory does not comprise the component class.
32. the described method of claim 31 further comprises when material correction inventory comprises the predetermined combinations of component class, produces mistake.
33. the described method of claim 32, wherein predetermined combinations comprises at least a monomer and at least a reactant.
34. the described method of claim 32, wherein predetermined combinations comprises at least a reactant and at least a basic thing.
35. the described method of claim 32, wherein predetermined combinations comprises at least a monomer and at least a basic thing.
36. the described method of claim 30, wherein every kind of component in the material correction inventory or secondary component have associated amount and measurement unit, and the measurement unit that further comprises every kind of component or secondary component converts basic measurement unit to.
37. the described method of claim 30, wherein deriving from material correction inventory is present in chemical composition the made chemical products and comprises from component, secondary component and component class and determine chemical composition.
38. the described method of claim 37, wherein at least two kinds of components and secondary component have reactant component class, and determine that wherein chemical composition comprises at least a product of determining between at least two kinds of reactants.
39. the described method of claim 38, wherein each in these at least two kinds of reactants all has associated concentration.
40. the described method of claim 39, at least a product between wherein definite at least two kinds of reactants comprises at least two kinds of reactants and these at least two kinds of concentration of reactants and multiple product is compared, and wherein every kind of product has associated multiple reactant and reactant concentration scope.
41. the described method of claim 40, wherein every kind of unique combination that product has associated reactant and reactant concentration scope.
42. the described method of claim 40, wherein every kind of concentration of reactants is the merchant of the amount of reactant divided by all reaction-ure mixtures.
43. the described method of claim 39, wherein every kind of unique combination that product has associated reactant and reactant concentration scope.
44. the described method of claim 38 determines that wherein at least a product between at least two kinds of reactants comprises the amount of determining this at least a product.
45. the described method of claim 44, wherein the amount of definite this at least a product comprises the total amount deduction reaction waste from reactant.
46. the described method of claim 45 is wherein reacted the amount that waste comprises byproduct of reaction, this byproduct of reaction does not constitute the part of made chemical products.
47. the described method of claim 46, wherein the component class further comprises the reaction loss, and wherein the bill of materials comprises byproduct of reaction, and wherein byproduct of reaction is relevant with reaction loss class.
48. the described method of claim 38 further comprises the material rules inventory that generation comprises product and any unreacted component and secondary component.
49. the described method of claim 48, wherein unreacted component and secondary component comprise at least a in additive and the solvent.
50. the described method of claim 37, wherein at least a in component and the secondary component have monomer component class, and determine that wherein chemical composition comprises at least a polymer of determining based on the polymerization of at least a monomer.
51. the described method of claim 50, wherein definite this at least a polymer comprises compares this at least a monomer with multiple polymers, and wherein every kind of polymer has at least a associated monomer.
52. the described method of claim 51, wherein every kind of polymer has the unique associated monomer and the combination of monomer.
53. the described method of claim 50 determines that wherein this at least a polymer further comprises the amount of determining this at least a polymer.
54. the described method of claim 53, wherein the amount of definite this at least a polymer comprises the total amount deduction polymerisation waste from institute's polymerization component and secondary component.
55. the described method of claim 54, wherein the polymerisation waste comprises the amount of polymerisation accessory substance, and this polymerisation accessory substance does not constitute the part of made chemical products.
56. the described method of claim 55, wherein the component class further comprises the polymerisation loss, and wherein the bill of materials comprises the polymerisation accessory substance, and wherein the polymerisation accessory substance is relevant with polymerisation loss class.
57. the described method of claim 50 further comprises the material rules inventory that formation comprises at least a polymer and any unpolymerized component and secondary component.
58. the described method of claim 57, wherein unreacted component and secondary component comprise at least a in additive and the solvent.
59. the described method of claim 37, wherein the component class further comprises initator and is equal at least a in the monomer, wherein at least a in component and the secondary component have monomer or be equal to monomer component class, and determine wherein that chemical composition comprises and determine based at least a monomer or be equal at least a polymer of the polymerization of monomer.
60. the described method of claim 59, determine that wherein at least a polymer comprises this at least a monomer or be equal to monomer and any initator is compared with multiple polymers that wherein every kind of polymer has associated monomer, is equal at least a combination of monomer and initator.
61. the described method of claim 60, wherein every kind of polymer has associated monomer, is equal to unique combination of monomer and initator.
62. the described method of claim 59 further comprises the material rules inventory that formation comprises at least a polymer and any unpolymerized component and secondary component.
63. the described method of claim 62, wherein unreacted component and secondary component comprise at least a in additive and the solvent.
64. the described method of claim 30, wherein at least a component or secondary component comprise chemical intermediate or waste material.
65. the described method of claim 30, wherein the component class further comprises in catalyst, the solvent that does not become a made chemical products part and the packaging material at least a.
66. the described method of claim 65 further comprises and removes any component or the secondary component that has catalyst, do not become the component class of the solvent of a made chemical products part and packaging material.
67. the described method of claim 30, wherein at least a component or secondary component have the associated bill of materials.
68. one kind is used for deriving and is present in the system of the chemical composition for the treatment of the manufacturing chemistry product, comprises:
Obtain the equipment of the bill of materials that comprises the component that is used for the manufacturing chemistry product;
Determine whether that any component comprises the equipment of secondary component;
The equipment that on material correction inventory, comprises any component of secondary component with the secondary component replacement; And
Derive from material correction inventory and to be present in the equipment of the chemical composition the made chemical products.
69. one kind is used for deriving and is present in the system of the chemical composition for the treatment of the manufacturing chemistry product, comprises:
Obtain the equipment of the bill of materials that comprises the chemical composition for the treatment of the manufacturing chemistry product;
Determine whether that any chemical composition comprises the equipment of secondary component;
The equipment that on material correction inventory, comprises the chemical composition of secondary component with the secondary component replacement;
Specify the equipment of component class for every kind of component and secondary component, the component class comprises following at least a: basic thing, additive, reactant and monomer; And
Derive from material correction inventory and to be present in the equipment of the chemical composition the made chemical products.
70. a computer-readable medium that contains the computer executable instructions that is useful on deal with data comprises:
Obtain the computer program code of the bill of materials that comprises the component that is used for the manufacturing chemistry product;
Determine whether that any component comprises the computer program code of secondary component;
The computer program code that on material correction inventory, comprises any component of secondary component with the secondary component replacement; And
Derive from material correction inventory and to be present in the computer program code of the chemical composition the made chemical products.
71. a computer-readable medium that contains the computer executable instructions that is useful on deal with data comprises:
Obtain the computer program code of the bill of materials device that comprises the chemical composition for the treatment of the manufacturing chemistry product;
Determine whether that any chemical composition comprises the computer program code of secondary component;
The computer program code that comprises the chemical composition of secondary component with the replacement of the secondary component on the material correction inventory;
Specify the computer program code of component class for every kind of component and secondary component, the component class comprises following at least a: basic thing, additive, reactant and monomer; And
Derive from material correction inventory and to be present in the computer program code of the chemical composition the made chemical products.
Applications Claiming Priority (3)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| US50894803P | 2003-10-06 | 2003-10-06 | |
| US60/508,948 | 2003-10-06 | ||
| US60/515,983 | 2003-10-31 |
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| Publication Number | Publication Date |
|---|---|
| CN101415484A true CN101415484A (en) | 2009-04-22 |
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Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CNA2004800363226A Pending CN101415484A (en) | 2003-10-06 | 2004-10-06 | Methods and systems for deriving chemical compositions that are present in a chemical product and for determining compliance of chemical products with government regulations |
Country Status (1)
| Country | Link |
|---|---|
| CN (1) | CN101415484A (en) |
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2004
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Open date: 20090422 |