Computer Aided Property Estimation for Process and Product Design
Computers Aided Chemical Engineering, Volume 19
- Georgios M. Kontogeorgis, Technical University of Denmark, Lyngby, Denmark
- Rafiqul Gani, CAPEC, Department of Chemical and Biochemical Engineering, Technical University of Denmark, Denmark
Researchers and practitioners within industry and academia working in areas of (Physical) Chemistry and Chemical Engineering.
- Published: June 2004
- Imprint: ELSEVIER
- ISBN: 978-0-444-51153-9
The book provides very useful descriptions and discussions on selected property estimation methods, including illustrative examples. The editors value the importance of experimental data which are needed to validate estimation methods and to develop better and more versatile models.
CEABA/Vtb (2005), Prof. Dr. R. Dohrn
Table of Contents
PART I. Introduction to Computer Aided Property Estimation.Computer aided property estimation (Rafiqul Gani, G.M. Kontogeorgis).
Role of properties and their models in process and product design (Rafiqul Gani, J.P. O' Connell).
PART II. Models for Properties.
Pure component property estimation: Models and databases (Jorge Marerro, Rafiqul Gani).
Models for liquid phase activity coefficients-UNIFAC(Jens Abildskov et al.).
Equations of state with emphasis on excess Gibbs energy mixing rules (E.C. Voutsas et al.).
Association models ⊣ The CPA equation of state (G.M. Kontogeorgis).
Models for polymer solutions (G.M. Kontogeorgis).
Property estimation for electrolyte systems (M.L. Pinsky, Kiyoteru Takano).Diffusion in multicomponent mixtures (A. Shapiro et al.). Modelling of phase equilibria in systems with organic solid solutions (Joao Coutinho et al.).
An introduction to modeling of gas hydrates (E. Hendriks, H. Meijer).
Part III: Application of property models and databases.
Molecular simulation of phase equilibria for industrial applications (I.G. Economou).
Property models in computation of phase equilibria(Rafiqul Gani, G.M. Kontogeorgis).
Application of property models in chemical product design (G.M. Kontogeorgis et al.).
Computational algorithms for electrolyte system properties (Rafiqul Gani, Kiyoteru Takano).
Challenges and Opportunities for Property Modelling(G.M. Kontogeorgis, Rafiqul Gani).