Principle of Physical Property Estimation and Computer Calculation (Includes CD-ROM)

Author: Dong Xinfa, Fang Liguo, Chen Li/ Country: Mainland China
Publisher:
Publish Date: 2006-04-01
Features: This book reviews the research history of property estimation, systematically elaborates on the methods and principles of fluid property estimation, and provides a detailed introduction to the applications of thermodynamics, statistical mechanics, the corresponding state principle, group contribution method, molecular topology, and artificial neural networks in fluid property estimation. It discusses the possibilities and methods of implementing these estimation methods through computer calculations and offers relevant application programs. The book also briefly introduces the mathematical and computer knowledge used in property estimation and the basic methods for software development of chemical property database systems. The book is well-documented with rich examples, concise writing, and a focus on practicality. It adopts a writing style of "principle-method-example-computational implementation" to present a comprehensive solution for chemical property estimation to readers. This book can serve as a graduate and senior undergraduate textbook for property estimation and principles, as well as a reference for scientific research and engineering technicians in chemical, light industry, materials, and metallurgical fields. The book is divided into nine chapters: Chapter 1 Introduction; Chapter 2 The Relationship Between Property Data and Thermodynamics; Chapter 3 Statistical Mechanics and Fluid Equilibrium and Transport Properties; Chapter 4 The Corresponding State Principle and Its Applications; Chapter 5 Molecular Structure and Macroscopic Properties; Chapter 6 UNIFAC Method for Estimating the Liquid Phase Activity Coefficient of Non-electrolyte Vapor-Liquid Equilibrium; Chapter 7 Molecular Topology and Property; Chapter 8 Artificial Neural Networks and Property; Chapter 9 Development of Property Data Query Systems. The data estimation methods introduced in this book strive for accuracy and reliability, emphasizing engineering practicality, highlighting their principles and specific methods, and providing various source codes.