Chemoinformatics

Chemoinformatics
Advanced Control and Computational Techniques

Editors: Hossein G. Gilani, PhD
Katia G. Samper
Reza K. Haghi

Chemoinformatics

Available now.
Pub Date: July 2012
Hardback Price: $139.95 US
Hard ISBN: 9781926895239
Pages: 214pp w/ index
Binding Type: hardbound

This new book provides an important understanding of the main computational techniques used for processing chemical and biological structural data. The theoretical background to a number of techniques is introduced. General data analysis techniques and examination of the application techniques in the industy are presented, along with current practices and current research. The book also provides practical experience of commercially available systems and includes small-scale chemoinformatics-related projects.

The book offers scope for academics, researchers, and engineering professionals. Chapters range from new methods to novel applications of existing methods and help provide an understanding of the material and/or structural behavior of new and advanced systems.

Included are innovative chapters on the growth of educational, scientific, and industrial research activities among chemical engineers and provides the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and chemical engineering.

CONTENTS:
List of Abbreviations
Preface
Chapter 1. A Thermodynamic Model for Vapor-Liquid Equilibrium Data for the Two Binary Systems
Chapter 2. Practical Hints on Measurement of Densities and Excess Molar Volumes
Chapter 3. A Mathematical Model to Control the Liquid-Liquid Equilibrium Data
Chapter 4. Computer Calculations for Multicomponent Vapor-Liquid and Liquid-Liquid Equilibria
Chapter 5. Densities And Refractive Indices of the Binary Systems
Chapter 6. Potential Applications of Artificial Neural Networks to Thermodynamics
Chapter 7. A Note on Application of Non-Random Two-Liquid (Nrtl) Model
Chapter 8. Some Practical Hints on Application of Uniquac Solution Model
Chapter 9. Control of Liquid Membrane Separation Process
Chapter 10. Development of Artificial Neural Network (Ann) Model for Estimation of Vapor Liquid Equilibrium (Vle) Data
Chapter 11. Some Aspects of a Fluid Phase Equilibria and Unifac Model
Chapter 12. Molecular Thermodynamics Process Control In Fluid-Phase Equilibria
Chapter 13. Estimation of Liquid-Liquid Equilibrium Using Artificial Neural Networks
Chapter 14. Optimization of Process Control of Water + Propanoic Acid+ 1-octanol System
Chapter 15. Practical Hints on Optimization of Uniquac Interaction Parameters
Chapter 16. A Mathematical Approach to Control the Water Content of Sour Gas
Chapter 17. Modeling And Control of Thermodynamic Properties by Artificial Neural Networks (ANNs)
Chapter 18. A Study on Liquid-liquid Equilibria Using Hysys & Uniquac Models
Chapter 19. Optimization and Control of Laboratory Production of Ethanol
Index


About the Authors / Editors:
Editors: Hossein G. Gilani, PhD
Associate Professor, Department of Chemical Engineering

Dr. Hossein G. Gilani received his MSc in Chemical Engineering from Bologna University, Italy, in 1982, and his PhD degree in Chemical Engineering from the University of Catalunya, Barcelona Tech (UPC), Spain, in 1992. He has served as the Head of Chemical Engineering Department as well as Vice-Dean of Faculty of Engineering in Research. He is a reviewer for several international journals and a member of the editorial boards of several journals. He has published more than 48 papers in various international research journals and is currently actively engaged in research areas of separation processes using distillation and extraction liquid-liquid, membranes and adsorption, process development, cryogenics, and gas liquefaction processes.

Katia G. Samper
University of Barcelona, Spain

Katia G. Samper is chemical engineer and is currently in the postgraduate program of chemical systems at the University of Salford, Manchester, UK.

Reza K. Haghi
University of Salford, United Kingdom

Reza Khodaparast Haghi is a mechanical engineer and is currently in the postgraduate program of Advanced Control Systems at University of Salford, Manchester, (UK).




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