Computer Aided Property Estimation for Process and Product Design 1st Edition by Georgios M Kontogeorgis I ISBN 0444545387 9780444545381 by Georgios M. Kontogeorgis And Rafiqul Gani (eds.) 978-0-444-51153-9 instant download after payment.

Computer Aided Property Estimation for Process and Product Design 1st Edition by Georgios M Kontogeorgis I - Ebook PDF Instant Download/Delivery: 0444545387, 9780444545381
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ISBN 10: 0444545387 
ISBN 13: 9780444545381
Author: Georgios M Kontogeorgis I

Properties of chemical compounds and their mixtures are needed in almost every aspect of process and product design. When the use of experimental data is not possible, one of the most widely used options in the use of property estimation models.
Computer Aided Property Estimation for Process and Product Design provides a presentation of the most suitable property estimation models available today as well as guidelines on how to select an appropriate model. Problems that users are faced with, such as: which models to use and what their accuracy is, are addressed using a systematical approach to property estimation.
The volume includes contributions from leading experts from academia and industry. A wide spectrum of properties and phase equilibria types is covered, making it indispensable for research, development and educational purposes.

* This book presents the latest developments in computational modelling for thermodynamic property estimation.
* It combines theory with practice and includes illustrative examples of software applications.
* The questions users of property models are faced with are addressed comprehensively.

Computer Aided Property Estimation for Process and Product Design 1st Table of contents:

Part I: Introduction to computer aided property estimation
Chapter 1: Introduction to Computer Aided Property Estimation
1.1 INTRODUCTION
1.2 CLASSIFICATION OF PROPERTIES & MODELS
1.3 PROPERTY MODEL DEVELOPMENT
1.4 PROPERTY MODEL USE
1.5 CONCLUSIONS
Chapter 2: Role of Properties and their Models in Process and Product Design
2.1 INTRODUCTION
2.2 ROLES OF PROPERTIES
2.2 PROPERTY ROLES AND PROPERTY MODEL SELECTION
2.3 DERIVATIVE ANALYSIS: A CONNECTION BETWEEN MODEL GENERATORS AND MODEL USERS
2.4 CONCLUSIONS
Part II: Models for properties
Chapter 3: Pure Component Property Estimation: Models & Databases
3.1 INTRODUCTION
3.2 MODELS FOR PRIMARY PROPERTIES
3.3 MODELS FOR SECONDARY PROPERTIES
3.4 FUNCTIONAL PROPERTIES
3.5 DATABASES
3.6 CONCLUSIONS
Chapter 4: Models for Liquid Phase Activity Coefficients - UNIFAC
4.1 INTRODUCTION
4.2 THE UNIFAC METHOD
4.3 MODEL ANALYSIS
4.4 CONCLUSIONS
LIST OF SYMBOLS
Chapter 5: Equations of State with Emphasis on Excess Gibbs Energy Mixing Rules
5.1 INTRODUCTION
5.2 THE VAN DER WAALS ONE FLUID MIXING RULES
5.3 BASIC APPROACH OF EoS/GE MODELS
5.4 BRIEF PRESENTATION OF THE MODELS
5.5 INPUT INFORMATION NEEDED FOR THE APPLICATION OF THE MODELS
5.6 PERFORMANCE OF EoS/GE MODELS IN VLE/GLE PREDICTION
5.7 PERFORMANCE OF CUBIC EOS FOR SOLID-GAS EQUILIBRIA
5.8 CONCLUDING REMARKS - FUTURE CHALLENGES
LIST OF SYMBOLS
LIST OF ABBREVIATIONS
Chapter 6: Association Models – The CPA Equation of State
6.1 INTRODUCTION
6.2 THE CPA EQUATION OF STATE - MODEL DESCRIPTION
6.3 THE CPA EQUATION OF STATE – PARAMETER ESTIMATION
6.4 THE CPA EQUATION OF STATE - CURRENT STATUS/RESULTS
6.5 USE OF THE CPA EOS
6.6 CHALLENGES
6.7 CONCLUDING REMARKS
LIST OF SYMBOLS
LIST OF ABBREVIATIONS
Chapter 7: Models for Polymer Solutions
7.1 INTRODUCTION - AREAS OF APPLICATION
7.2 CHOICE OF SOLVENTS
7.3 THE FREE-VOLUME ACTIVITY COEFFICIENT MODELS
7.4 EQUATIONS OF STATE FOR POLYMERS
LIST OF ABBREVIATIONS
Chapter 8: Property Estimation for Electrolyte Systems
8.1 INTRODUCTION
8.2 PROPERTIES & DATA ANALYSIS
8.3 ELECTROLYTE PROPERTY MODELS
8.4 CONCLUSIONS
Chapter 9: Diffusion in Multicomponent Mixtures
9.1 INTRODUCTION
9.2 MULTICOMPONENT DIFFUSION
9.3 DIFFUSION IN POLYMER SOLVENT SYSTEMS
Chapter 10: Modelling Phase Equilibria in Systems with Organic Solid Solutions
10.1 INTRODUCTION
10.2 STATE OF ART
10.3 WAX FORMATION MODEL
10.4 FLUID CHARACTERIZATION
10.5 RESULTS
10.6 OTHER SYSTEMS
Chapter 11: An Introduction to Modeling of Gas Hydrates
11.1 INTRODUCTION
11.2 THERMODYNAMIC BEHAVIOUR OF HYDRATES
11.3 PHASE EQUILIBRIUM CALCULATIONS & THERMODYNAMIC MODELS
ACKNOWLEDGEMENT
Part III: Applications of property models and databases
Chapter 12: Molecular Simulation of Phase Equilibria for Industrial Applications
12.1 INTRODUCTION
12.2 MOLECULAR SIMULATION METHODS
3 FORCE-FIELDS FOR COMPLEX FLUIDS
12.4 APPLICATIONS
12.5 CONCLUSIONS
ACKNOWLEDGMENT
Chapter 13: Property Models in Computation of Phase Equilibria
13.1 INTRODUCTION
13.2 DIFFERENT TYPES OF PHASE EQUILIBRIUM PROBLEMS
13.3 APPLICATION EXAMPLES: SPECS
13.4 APPLICATION EXAMPLES: ICAS
13.4 CONCLUSIONS
Chapter 14: Application of Property Models in Chemical Product Design
14.1 INTRODUCTION
14.2 PROPERTY MODEL NEEDS IN CHEMICAL PRODUCT DESIGN
14.3 PREDICTIVE PROPERTY MODELS FOR BASE PROPERTIES
14.4 PRODUCT DESIGN EXAMPLES
14.5 BASIC RELATIONSHIPS IN ENVIRONMENTAL ENGINEERING
LIST OF SYMBOLS
Chapter 15: Computational Algorithms for Electrolyte System Properties
15.1 INTRODUCTION
15.2 COMPUTATIONAL ALGORITHMS
3.3 ALGORITHM FOR CREATION OF PROPERTY MODEL PACKAGE
9.4 COMPUTATIONAL ALGORITHMS FOR PROCESS SIMULATION
9.5 CONCLUSIONS
Part IV: Challenges and opportunities
Chapter 16: Challenges and Opportunities for Property Modeling
16.1 INTRODUCTION
16.2 CLASSICAL SEPARATIONS
16.2 MATERIALS AND CHEMICAL PRODUCTS
16.4 LIFE SCIENCES AND BIOTECHNOLOGY
16.5 COMPUTER-AIDED SYSTEMS
16.6 THERMODYNAMICS IN THE POST-MODERN WORLD
16.7 CONCLUSIONS

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