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Books on the topic 'Chemical equilibrium – Simulation methods'

Author: Grafiati

Published: 4 June 2021

Last updated: 4 February 2022

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1

Chemical thermodynamics: For process simulation. Wiley-VCH, 2012.

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2

Ramirez, W. Fred. Computational methods for process simulation. 2nd ed. Butterworths, 1997.

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3

Computational methods for process simulation. Butterworths, 1989.

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4

G, Samper Katia, and Haghi Reza K, eds. Advanced process control & simulation for chemical engineers. Apple Academic Press, 2013.

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5

1923-, Grunwald Ernest, ed. Rates and equilibria of organic reactions as treated by statistical, thermodynamic, and extrathermodynamic methods. Dover Publications, 1989.

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6

Scale-up in chemical engineering. Wiley-VCH, 2002.

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7

I, Barnes, Rudzinski Krzysztof J, and North Atlantic Treaty Organization. Public Diplomacy Division., eds. Environmental simulation chambers: Application to atmospheric chemical processes. Springer, 2006.

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8

Geiser, Juergen. Decomposition methods in multiphysics and multiscale problems: Models and simulation. Nova Science Publishers, 2009.

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9

Distillation design and control using Aspen simulation. Wiley, 2006.

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10

Geochemical reaction modeling: Concepts and applications. Oxford University Press, 1996.

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11

Luo, Jianfeng. Integrated modeling of chemical mechanical planarization for sub-micron IC fabrication: From particle scale to feature, die and wafer scales. Springer, 2004.

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12

Luo, Jianfeng. Integrated modeling of chemical mechanical planarization for sub-micron IC fabrication: From particle scale to feature, die and wafer scales. Springer, 2005.

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13

Bethke, Craig. Geochemical and biogeochemical reaction modeling. 2nd ed. Cambridge University Press, 2008.

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14

Bethke, Craig. Geochemical and biogeochemical reaction modeling. 2nd ed. Oxford University Press, 2008.

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15

Bethke, Craig. Geochemical and biogeochemical reaction modeling. 2nd ed. Oxford University Press, 2008.

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16

Matteo, Pardo, and Sberveglieri G. (Giorgio), eds. Olfaction and electronic nose: Proceedings of the 13th International Symposium on Olfaction and Electronic Nose, Brescia, Italy, 15-17 April 2009. American Institute of Physics, 2009.

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17

Bethke, Craig. Geochemical and biogeochemical reaction modeling. 2nd ed. Oxford University Press, 2008.

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18

Geochemical and biogeochemical reaction modeling. 2nd ed. Oxford University Press, 2008.

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19

Hertel, Thomas W. Adding value to existing models of international agricultural trade. U.S. Dept. of Agriculture, Economic Research Service, 1994.

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20

Kaznessis, Yiannis Nikolaos. Statistical thermodynamics and stochastic kinetics: An introduction for engineers. Cambridge University Press, 2012.

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21

A, Dzombak David, ed. Surface complexation modeling: Gibbsite. Wiley, 2010.

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22

Lars-Olof, Nilsson, and Basheer, P. A. Muhammad (Paliakarakadu Assen Muhammed), eds. Resistance of concrete to chloride ingress: Testing and modelling. Spon Press, 2012.

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23

Modeling, analysis, and optimization of process and energy systems. Wiley, 2012.

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24

Woodward, John Lowell. LNG risk based safety: Modeling and consequence analysis. AIChE, 2010.

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25

Woodward, John Lowell. LNG risk based safety: Modeling and consequence analysis. Wiley, 2010.

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26

A computational approach to chemistry. Blackwell Scientific Publications, 1990.

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27

Center, Lewis Research, ed. Mixing and non-equilibrium chemical reaction in a compressible mixing layer. State University of New York, 1991.

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28

Center, Lewis Research, ed. Mixing and non-equilibrium chemical reaction in a compressible mixing layer. State University of New York, 1991.

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29

Allen, Michael P., and Dominic J. Tildesley. Advanced Monte Carlo methods. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0009.

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This chapter describes the ways in which the Monte Carlo importance sampling method may be adapted to improve the calculation of ensemble averages, particularly those associated with free energy differences. These approaches include umbrella sampling, non-Boltzmann sampling, the Wang–Landau method, and nested sampling. In addition, a range of special techniques have been developed to accelerate the simulation of flexible molecules, such as polymers. These approaches are illustrated with scientific examples and program code. The chapter also explains the analysis of such simulations using techn

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30

Raff, Lionel, Ranga Komanduri, Martin Hagan, and Satish Bukkapatnam. Neural Networks in Chemical Reaction Dynamics. Oxford University Press, 2012. http://dx.doi.org/10.1093/oso/9780199765652.001.0001.

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This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic

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31

Fox, Raymond. The Use of Self. Oxford University Press, 2011. http://dx.doi.org/10.1093/oso/9780190616144.001.0001.

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This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic

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32

H, Loeppert Richard, Schwab A. Paul, Goldberg Sabine, and Soil Science Society of America. Division S-1., eds. Chemical equilibrium and reaction models. Soil Science Society of America, 1995.

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33

Ramirez, W. F. Computational Methods in Process Simulation. 2nd ed. Butterworth-Heinemann, 1998.

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34

Derek, Cooper, Mendham John, Chapman N. B. 1916-, and ACOL (Project), eds. Classical methods. Published on behalf of ACOL, London, by Wiley, 1987.

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35

Scale-up in Chemical Engineering. 2nd ed. Wiley-VCH, 2006.

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36

National Institute of Standards and Technology (U.S.), ed. Molecular dynamics simulation of tethered chains. U.S. Dept. of Commerce, Technology Administration, National Institute of Standards and Technology, 1998.

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37

Sinquefield, Scott A. A microcomputer software package for simulation of non-ideal aqueous electrolyte systems at equilibrium. 1991.

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38

Glasow, Jerry A. Chemical munition decision methods for the Vector-in-Commander Combat Simulation. 1988.

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39

1953-, Marimon Ramon, Scott Andrew, European University Institute, and European Economic Association. Summer School, eds. Computational methods for the study of dynamic economies. Oxford University Press, 1999.

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40

Ecological Modeling in Risk Assessment: Chemical Effects on Populations, Ecosystems, and Landscapes. CRC, 2001.

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41

A, Pastorok Robert, ed. Ecological modeling in risk assessment: Chemical effects on populations, ecosystems, and landscapes. Lewis Publishers, 2002.

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42

Luyben, William L. Distillation Design and Control Using Aspen Simulation. American Institute of Chemical Engineers, 2013.

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43

Luyben, William L. Distillation Design and Control Using Aspen Simulation. American Institute of Chemical Engineers, 2006.

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44

Distillation Design and Control Using Aspen Simulation. Wiley-AIChE, 2013.

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45

Luyben, William L. Distillation Design and Control Using Aspen Simulation. American Institute of Chemical Engineers, 2013.

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46

Environmental Simulation Chambers: Application to Atmospheric Chemical Processes (Nato Science Series: IV: Earth and Environmental Sciences). Springer, 2005.

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47

Microelectrofluidic Systems: Modeling and Simulation. CRC, 2002.

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48

Bethke, Craig M. Geochemical and Biogeochemical Reaction Modeling. 2nd ed. Cambridge University Press, 2007.

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49

Bethke, Craig M. Geochemical and Biogeochemical Reaction Modeling. Cambridge University Press, 2010.

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50

Bortz, Michael, and Norbert Asprion. Simulation and Optimization in Process Engineering: The Benefit of Mathematical Methods in Applications of the Chemical Industry. Elsevier, 2021.

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