Proceedings of the Symposium on Thermodynamic and Transport Properties of Fluids. AIChE Spring National Meeting and Petrochemicals Expo, Astrohall, Houston, TX, March 29 - April 2, 1987. , 1987
The present report is designed with the purpose of describing the role of modern theoretical and ... more The present report is designed with the purpose of describing the role of modern theoretical and experimental techniques of statistical thermodynamics and transport and electrokinetic phenomena to develop methods that will predict a asphaltene and asphalt flocculation during the production, transportation, and processing of petroleum. The mechanisms of gas injection and oil recovery involved with miscible gas flooding are basically of three kinds. The first-contact miscible gas drive, the condensing gas drive (or the enriched gas drive) and the vaporizing gas drive (or the high pressure gas drive) processes. The first and second processes are based on the injection of hydrocarbons that are soluble in the residual oil, while the third process involves injection of a high density gas, such as high-pressure nitrogen or carbon dioxide. The parameters that govern precipitation of asphaltene and wax appear to be composition of crude and injection fluid, pressure, and temperature of the reservoir. With alterations in these parameters the nature of asphaltene and wax substances which precipitate will vary.
Uploads
Papers by G.Ali Mansoori
solid–liquid and vapor–liquid regions.
film, and reduced the interfacial tension in all systems. Furthermore, the addition of sc-CO2 increased the diffusivity of the oil phase in all systems.
However, it significantly affected the diffusivity of systems that have less polar aromatics.
theory. There is a good agreement between the present calculations and the experimental data in predicting the oxygen-oxygen radial distribution function near the critical point and at supercritical conditions for which experimental data are available. It is also concluded that at supercritical conditions a considerable degree of hydrogen bonding may be still present in the form of linear chain association. Therefore, the chain association model is valid near the critical point and at supercritical conditions instead of other structure models for the investigations on molecular structure of water.
theory of aggregation enables one to develop a fractal aggregation (FA) model which combines the ideas of the two proposed CT and SC models. The FA model is capable of describing several situations, such as the phenomena of organic deposition, growing mechanism of heavy organic aggregates, the geometrical aspects of aggregates, the size distributions of precipitated organics, and the solubility of heavy organics in an oil under the influence of miscible solvents.
solid–liquid and vapor–liquid regions.
film, and reduced the interfacial tension in all systems. Furthermore, the addition of sc-CO2 increased the diffusivity of the oil phase in all systems.
However, it significantly affected the diffusivity of systems that have less polar aromatics.
theory. There is a good agreement between the present calculations and the experimental data in predicting the oxygen-oxygen radial distribution function near the critical point and at supercritical conditions for which experimental data are available. It is also concluded that at supercritical conditions a considerable degree of hydrogen bonding may be still present in the form of linear chain association. Therefore, the chain association model is valid near the critical point and at supercritical conditions instead of other structure models for the investigations on molecular structure of water.
theory of aggregation enables one to develop a fractal aggregation (FA) model which combines the ideas of the two proposed CT and SC models. The FA model is capable of describing several situations, such as the phenomena of organic deposition, growing mechanism of heavy organic aggregates, the geometrical aspects of aggregates, the size distributions of precipitated organics, and the solubility of heavy organics in an oil under the influence of miscible solvents.
facets of diamondoid molecules are comprehensively exposed and discussed, bringing state-of-the-art information to the reader, along with the history, fundamentals and perspectives of diamondoids science and technology.
Diamondoids (a.k.a. Nanodiamonds) are cage-like, ultra stable, saturated ringed hydrocarbons, which have a diamond-like structure consisting of a number of six-member carbon rings fused together. Adamantane is the cage compound prototype and the simplest diamondoid molecule. Diamondoids Molecules aims to present these fascinating substances in a novel fashion. The more intriguing facets of diamondoid molecules are comprehensively exposed and discussed, bringing state-of-the-art information to the reader, along with the history, fundamentals and perspectives of diamondoid science and technology.
This groundbreaking book, especially devoted to diamondoid molecules, is of critical importance to the global techno-scientific community, and will be of great interest in many research fields such as chemistry, physics, material science, geology, and biological sciences. Moreover, it will attract readers from industrial, government and environmental agencies as well as scholars.
10.1 Introduction
10.2 Background
10.3 Grand Canonical Ensemble
10.4 Analytic Theory of Dissimilar Mixtures
10.4.1 Analytic Solutions for Low to Moderate Pressures
10.5 Binary Mixtures
10.6 Test of Cu Closure
10.6.1 Hard-Sphere Mixtures
10.6.2 Lennard-Jones Mixtures
10.6.3 Real Mixtures
10.7 Vapor-Liquid Equilibria
10.8 Liquid-Liquid Equilibria
10.9 Summary References
During the past decade, research and development in the area of synthesis and applications of different nanostructured titanium dioxide have become tremendous. This book briefly describes properties, production, modification and applications of nanostructured titanium dioxide focusing in particular on photocatalytic activity. The physicochemical properties of nanostructured titanium dioxide are highlighted and the links between properties and applications are emphasized. The preparation of TiO2 nanomaterials, including nanoparticles, nanorods, nanowires, nanosheets, nanofibers, and nanotubes are primarily categorized by their preparation method (sol-gel and hydrothermal processes). Examples of early applications of nanostructured titanium dioxide in dye-sensitized solar cells, hydrogen production and storage, sensors, rechargeable batteries, electrocatalysis, self-cleaning and antibacterial surfaces and photocatalytic cancer treatment are reviewed. The review of modifications of TiO2 nanomaterials is mainly focused on the research related to the modifications of the optical properties of TiO2 nanomaterials, since many applications of TiO2 nanomaterials are closely related to their optical properties. Photocatalytic removal of various pollutants using pure TiO2 nanomaterials, TiO2-based nanoclays and non-metal doped nanostructured TiO2 are also discussed.
MolecularBuildingBlocksforNanotechnology:FromDiamondoidstoNanoscale Materials and Applications is a result of the research and educational activities of a group of outstanding scientists worldwide who have authored the chapters of this book dealing with the behavior of nanoscale building blocks. It contains a variety of subjects covering computational, dry and wet nanotechnology. The state-of-the-art subject matters are presented in this book which can provide the reader with the latest developments on the ongoing bottom-up nanoscience and nanotechnology research.
The editors would like to thank all the chapter authors whose scholarly contributions have made publication of this book possible. We would like to thank Springer for agreeing to publish this book as part of its Topics in Applied Physics Series. We also acknowledge the support of the U.S. Army Research Office under contract W911NF-04-1-0383.
G. Ali Mansoori
Thomas F. George
Guoping Zhang
Lahsen Assoufid
2007
THE MOLECULAR THEORY OF LIQUIDS AND DENSE GASES is currently in the midst of a healthy period of growth and expansion. Much of the activity in the area has been instigated by the wide-spread availability of high speed digital computers coupled "With significant advances in a number of experimental methods for measuring fluid properties and exploring fluid-phase behavior. The computer has not only provided the means for generating quantitative results for problems defying analytic solution, but it -also has enabled direct simulation of molecular behavior in fluids via techniques known as Monte Carlo, molecular dynamics, and Brownian dynamics. Important experimental advances include high-flux nuclear reactors and pulsed-neutron sources for determining a variety of static .and dynamic fluid properties; lasers for extracting information on dynamic relaxation processes; improved molecular beams for ascertaining details of intermolecular pair potential functions; and ellipsometry for probing fluid interfaces. These various computer simulation and experimental methods are providing molecular theorists, as never before, with a ·wealth of data to be digested, organized, interpreted, and made predictable.
Numerous theoretical tools have been developed in attempts to cope with the profusion of simulation and experimental· data. The more successful theoretical developments include integral equations for molecular distribution functions, perturbation and variational theories, analytic expressions for the thermodynamic properties of the hard-sphere and Lennard-Jones fluids, and improved forms for intermolecular potential energy functions. The success of the molecular approach to the study of fluid behavior is indicated by the fact that many of these theoretical advances are replacing empiricisms in engineering design and process analysis computations. Furthermore, molecular-based corresponding states and conformal solution theories are now widely used by the engineering community.
Thus, the molecular-based study of fluids is a multidisciplinary endeavor that involves chemists, physicists, and engineers. This volume reflects the breadth of the endeavor as indicated by the variety of phenomena under investigation, the diversity of scientists and engineers involved in the research, and the internationally recognized importance of the problems to be solved. In this collection of papers, we have emphasized, -with some exceptions, static properties at the expense of dynamic properties, because substantially more progress has been made in resolving difficulties in the theory of static properties. The only constraints we have placed on the authors are to insist that results take priority over methodology and that the papers present a juxtaposition of two from the following triad: theory, experiment, and computer simulation. We hope this collection of papers communicates to the research specialist, the curious nonspecialist, and the practicing engineer the recent progress made towards a more complete explanation of fluid phase behavior.
J.M. HAILE, Cornell University, Ithaca, NY 14853
G. A. MANSOORI, University of Illinois at Chicago, Chicago, IL 60680
November 29, 1982
CHAPTER 1- ENERGY: Sources, Conversion, Conservation and Sustainability
CHAPTER 2 - COAL
CHAPTER 3 - PETROLEUM
CHAPTER 4 - NATURAL GAS
CHAPTER 5 - CARBON DIOXIDE
CHAPTER 6 - NUCLEAR ENERGY
CHAPTER 7 - BIOFUELS
CHAPTER 8 - WIND ENERGY
CHAPTER 9 - SOLAR ENERGY
CHAPTER 10 - GEOTHERMAL ENERGY
CHAPTER 11 - ENERGY STORAGE
GLOSSARY
NOTATIONS
INDEX
10 "Book Reviews" about this Book
ERRATA
This chapter presents a descriptive and illustrative account of phase behavior in the seven naturally occurring petroleum fluids and ties all the known eleven phase-transition concepts in a unified narrative. The figures and tables contained in this report are designed so that they could effectively support the discussion about molecular make-up of petroleum fluids, P- and T-effects on phase behavior and phase transition points.
Seven naturally occurring hydrocarbon fluids are known as petroleum fluids. They include, in the order of their fluidity, natural gas, gas condensate (or NGL), light crude, intermediate crude, heavy oil, tar sand and oil shale. In this report we present a generalized description of the various phase transitions, which may occur in petroleum fluids with emphasis on heavy organics deposition.
At first the nature of every petroleum fluid is presented. Their constituents including their so-called impurities are identified and categorized. Heavy fractions in petroleum fluids are discussed and their main families of constituents are presented including petroleum wax, diamondoids, asphaltenes and petroleum resins. Then the generalized petroleum fluids phase behavior is discussed in light of the known theory of phase transitions. The effects of variations of composition, temperature and pressure on the phase behavior of petroleum fluids are introduced. Finally eleven distinct phase-transition points of petroleum fluids are presented and their relation with state variables and constituents of petroleum fluids are identified. This report is to generalize and relate phase behaviors of all the seven naturally occurring petroleum fluids into a unified perspective. This work is the basis to develop a comprehensive computational model for phase behavior prediction of all the petroleum fluids, which is of major interest in the petroleum industry
This is a 350-page book that teaches the readership the principles of nanotechnology. By studying this book carefully one will learn what are the cornerstone of any nanotechnology project. Except for Chapter 1 which describes the state-of-the art of nanotechnology advances as of 2005, the other chapters of the book are time-less and teaches the readership such topics as: Nanosystems Intermolecular Forces and Potentials; Thermodynamics and Statistical Mechanics of Small/Nano Systems; Principles and details of Monte Carlo Simulation Methods for Nanosystems; Molecular Dynamics Simulation Methods for Nanosystems; Ovderall Computer-Based Simulations and Optimizations for Nanosystems during a Computational Nanotechnology Project; Dtails of what happens during Phase Transitions in Nanosystems and how to deal with it; Positional Assembly of Atoms and Molecules which is one of the principles behind bottom-up nanotechnology; Molecular Self-Assembly which is another principles behind bottom-up nanotechnology; Dynamic Combinatorial Chemistry which teaches the readership how to use chemistry and reactive processes towards producing nanostructures with desired properties; Molecular Building Blocks of Nanotechnology which are the molecular Legos of nanotechnology and how to construct them, choose them and deal with them in a nanotechnology project. The book ends with a comprehensive Glossary of terms, formulas, equations and definitions used in nanotechnology.
It is important to be able to predict any potential deposition, "When" and "how much" heavy organics will flocculate out of solution and deposit? as well as "What are" the economic implications? are questions of major interest to the petroleum industry. Since petroleum crude generally consists of a complex mixture of hydrocarbons and heavy organics it has become necessary to look at this problem from a more fundamental point of view than it bad been the practice in the past.
In this paper we present an overview of the heavy organic deposition problem and the causes and effect of such depositions. We present predictive schemes; to be used for preventive measures to fight such a problem.
Heat was generated by the passage of AC current through the pools. Analysis of the heat flux data from the water experiments led to an empirical model of pool heat transfer. The model takes account of the interactions of the vertical heat fluxes with the horizontal heat fluxes. The model is shown to predict heat fluxes which are in reasonable agreement with experimental and· analytical results reported by Mayinger, et al. The empirical model, when applied to the conditions of the molten UO2 experiments, predicted significantly smaller downward heat fluxes than were observed. The increased downward heat fluxes in the molten UO2 could possibly be caused by effects of partial transparency within the molten UO2 ,
This includes the chronological list of our selected publications:
microscopic and macroscopic data needed in support or the proposed study are outlined.
Other distinguished scientists, including William Thomson, 1st Baron Kelvin: (1824 – 1907); Lars Onsager (1903 – 1976); and Ilia Prigogine (1917 – 2003) contributed appreciably to the advancement of various scientific applications of the concept of entropy. The second law of thermodynamics in terms of entropy concept indicates “The entropy production is positive”, which is an inequality.
We have utilized the second law inequality of thermodynamics and we have produced
expressions for, both, the upper-bound, and the lower-bound to efficiencies of thermal cycles and coefficients of performance (COPs) of cooling cycles. Also we have shown in developing the VIM Equation of State the concept of entropy has an interesting and important role. Our related publications may be downloaded from: http://trl.lab.uic.edu/1.OnlineMaterials/Entropy/.
mixtures in thermodynamic equilibrium called the PHASE RULE in a paper titled “On the Equilibrium of
Heterogeneous Substances”.
The equation for the Gibbs Phase Rule is: P + F = C + 2
where,
C = the number of components of the mixture.
F = the number of degrees of freedom (thermodynamic variables) which can be specified independently.
P = the number of phases present in the mixture.
The Gibbs Phase Rule has been the governing equation in performing many different thermodynamic mixture calculations. The Gibbs Phase Rule is also extended to reacting mixtures which is very well known.
When the number of components in a mixture is infinitely large, it has become customary to use the concept of continuous mixtures. We developed the extension of the Gibbs Phase Rule to the case of Continuous Mixtures as reported in Chem. Eng’g Comm. 54 (1-6): 139-148, 1987.
We also developed three different schemes for phase equilibrium calculation of continuous mixtures as reported at: http://trl.lab.uic.edu/CM,