Phase Equilibria

Alexandre C. Dimian; Costin S. Bildea; Anton A. Kiss

doi:10.1016/B978-0-444-62700-1.00006-1

Phase Equilibria

Alexandre C. Dimian, Costin S. Bildea, Anton A. Kiss

School of Engineering and Digital Sciences

Research output: Chapter in Book/Report/Conference proceeding › Chapter

4 Citations (Scopus)

Abstract

Selecting the suitable thermodynamic model and supplying the adequate parameters is a key step in solving a simulation-aided design problem. This chapter reviews the fundamentals of phase equilibria in process simulation. Besides the methods based on equations of state and liquid activity models, new efficient tools based on molecular simulation and quantum mechanics are presented. Special attention is paid to the regression of model parameters from experimental data. A guide for selecting a suitable thermodynamic method ends up the chapter.

Original language	English
Title of host publication	Computer Aided Chemical Engineering
Publisher	Elsevier B.V.
Pages	201-251
Number of pages	51
DOIs	https://doi.org/10.1016/B978-0-444-62700-1.00006-1
Publication status	Published - Jan 1 2014

Publication series

Name	Computer Aided Chemical Engineering
Volume	35
ISSN (Print)	1570-7946

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Keywords

Activity models
Equations of state
Experimental data
Model parameters
Non-ideality
Phase equilibrium
Thermodynamic methods
Thermodynamics

ASJC Scopus subject areas

Chemical Engineering(all)
Computer Science Applications

Cite this

Dimian, A. C., Bildea, C. S., & Kiss, A. A. (2014). Phase Equilibria. In Computer Aided Chemical Engineering (pp. 201-251). (Computer Aided Chemical Engineering; Vol. 35). Elsevier B.V.. https://doi.org/10.1016/B978-0-444-62700-1.00006-1

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KW - Model parameters

KW - Non-ideality

KW - Phase equilibrium

KW - Thermodynamic methods

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Access to Document

10.1016/B978-0-444-62700-1.00006-1