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AU2001281891A1 - Method for simulating chemical reactions - Google Patents

Method for simulating chemical reactions

Info

Publication number
AU2001281891A1
AU2001281891A1 AU2001281891A AU8189101A AU2001281891A1 AU 2001281891 A1 AU2001281891 A1 AU 2001281891A1 AU 2001281891 A AU2001281891 A AU 2001281891A AU 8189101 A AU8189101 A AU 8189101A AU 2001281891 A1 AU2001281891 A1 AU 2001281891A1
Authority
AU
Australia
Prior art keywords
chemical reactions
simulating chemical
simulating
reactions
chemical
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Abandoned
Application number
AU2001281891A
Inventor
Werner Klaffke
Shail Patel
Jeremy Andrew Leslie Rabone
Stephen William Russell
Johannes Thedorus Tissen
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Unilever PLC
Original Assignee
Unilever PLC
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Unilever PLC filed Critical Unilever PLC
Publication of AU2001281891A1 publication Critical patent/AU2001281891A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G05—CONTROLLING; REGULATING
    • G05B—CONTROL OR REGULATING SYSTEMS IN GENERAL; FUNCTIONAL ELEMENTS OF SUCH SYSTEMS; MONITORING OR TESTING ARRANGEMENTS FOR SUCH SYSTEMS OR ELEMENTS
    • G05B17/00—Systems involving the use of models or simulators of said systems
    • G05B17/02—Systems involving the use of models or simulators of said systems electric

Landscapes

  • Physics & Mathematics (AREA)
  • General Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • Automation & Control Theory (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Seeds, Soups, And Other Foods (AREA)
AU2001281891A 2000-07-21 2001-06-27 Method for simulating chemical reactions Abandoned AU2001281891A1 (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
EP00306250.2 2000-07-21
EP00306250 2000-07-21
PCT/EP2001/007235 WO2002008839A1 (en) 2000-07-21 2001-06-27 Method for simulating chemical reactions

Publications (1)

Publication Number Publication Date
AU2001281891A1 true AU2001281891A1 (en) 2002-02-05

Family

ID=8173139

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2001281891A Abandoned AU2001281891A1 (en) 2000-07-21 2001-06-27 Method for simulating chemical reactions

Country Status (5)

Country Link
US (1) US20020111782A1 (en)
EP (1) EP1316000A1 (en)
AU (1) AU2001281891A1 (en)
BR (1) BR0112550A (en)
WO (1) WO2002008839A1 (en)

Families Citing this family (9)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20050071142A1 (en) * 2003-09-29 2005-03-31 National University Of Singapore, An Organization Organized Existing Under The Laws Of Singapore Methods for simulation of biological and/or chemical reaction pathway, biomolecules and nano-molecular systems
US7769576B2 (en) * 2005-06-30 2010-08-03 The Mathworks, Inc. Method and apparatus for integrated modeling, simulation and analysis of chemical and biological systems having a sequence of reactions, each simulated at a reaction time determined based on reaction kinetics
US10726944B2 (en) 2016-10-04 2020-07-28 International Business Machines Corporation Recommending novel reactants to synthesize chemical products
US10622098B2 (en) * 2017-09-12 2020-04-14 Massachusetts Institute Of Technology Systems and methods for predicting chemical reactions
US11132621B2 (en) 2017-11-15 2021-09-28 International Business Machines Corporation Correction of reaction rules databases by active learning
US11854670B2 (en) * 2020-08-18 2023-12-26 International Business Machines Corporation Running multiple experiments simultaneously on an array of chemical reactors
US12380968B2 (en) 2020-08-18 2025-08-05 International Business Machines Corporation Multiple chemical programs for an array of chemical reactors with a single array of reactants
EP4281581A4 (en) * 2021-01-21 2025-01-01 Kebotix, Inc. Systems and methods for template-free reaction predictions
CN115831246A (en) * 2022-12-05 2023-03-21 北京科技大学 Pharmaceutical chemical reaction synthesis and conversion rate prediction combined optimization method

Family Cites Families (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5740033A (en) * 1992-10-13 1998-04-14 The Dow Chemical Company Model predictive controller
BE1009406A3 (en) * 1995-06-09 1997-03-04 Solvay Method of control methods for synthetic chemicals.

Also Published As

Publication number Publication date
BR0112550A (en) 2003-06-24
WO2002008839A8 (en) 2003-08-28
EP1316000A1 (en) 2003-06-04
WO2002008839A1 (en) 2002-01-31
US20020111782A1 (en) 2002-08-15

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