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Thermodynamic Modeling and Materials Data Engineering

  • Book
  • © 1998

Overview

Editors:
  1. Jean-Pierre Caliste

    1. Ministère de l’Economie, Finance et Industrie SQUALPI, Paris, France

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    You can also search for this editor in PubMed   Google Scholar

  2. Albert Truyol

    1. Vaucresson, France

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    You can also search for this editor in PubMed   Google Scholar

  3. Jack H. Westbrook

    1. Brookline Technologies, Ballstone Spa, USA

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    You can also search for this editor in PubMed   Google Scholar

Part of the book series: Data and Knowledge in a Changing World (DATAKNOWL)

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Table of contents (40 chapters)

  1. Front Matter

    Pages I-X
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  3. Predictions and Validation of Physical and Energy Data

    1. Thermochemical Mimicry

      • Joel F. Liebman, Hussein Afeefy
      Pages 71-78

    2. Computer-Aided Inorganic Properties Estimation System

      • Jian-yun Shen, Guo-sheng Huang, Hao Wen, Zhi-hong Xu
      Pages 79-84

    3. Estimation of Physical Properties of Organic Compounds. A Comparison of Methods in the Case of Vapor Pressure Estimation

      • Maurice Chastrette, Dominique Cretin
      Pages 85-94

    4. Model for the Critical Evaluation of Solubility Data in Salt Systems

      • R. Cohen-Adad, M-Th Cohen-Adad, D. Chehimi, A. Marrouche
      Pages 95-108

    5. On the Expert Thermodynamic Analysis of Power Engineering Problems

      • Vyacheslav E. Alemasov, Anatoly F. Dregalyn, Rouzalia R. Nazyrova
      Pages 109-114

    6. Liquid-Solid Transitions Within Multiple Emulsions. Enthalpy and Temperature Data Applied to Mass Transfer Studies

      • D. Clausse, I. Pezron, L. Potier, S. Raynal
      Pages 115-128

  4. Understanding Complex Systems

    1. Investigation of the Structural and Acidic Properties of Bulk Offretite Using First Principles Molecular Dynamics

      • J. Weber, L. Campana, A. Selloni, A. Pasquarello, I. Papai, A. Goursot
      Pages 129-134

    2. Surface Thermodynamics of Solid Materials by Inverse Gas Chromatography

      • Mohamed M. Chehimi
      Pages 135-142

    3. Differential Scanning Calorimetry (DSC) and Temperature Dependence of the Electrical Conductivity in the Ternary System: Water + CTAB + Phenol

      • K. Busserolles, G. Roux-Desgranges, A. H. Roux
      Pages 143-150

    4. Thermodynamic Models for Monitoring Deoxidation Treatments and Controlling Inclusions in Steels

      • Henri Gaye, Christian Gatellier, Jean Lehmann
      Pages 151-160

    5. A Technique for Studying the Particle Impact Phenomena in Plasma Spraying

      • A. Vardelle, M. Vardelle, P. Fauchais
      Pages 161-168

    6. The Application of Thermodynamics to the Development of Processes and Materials

      • P. J. Spencer, G. Eriksson, A. Von Richthofen
      Pages 169-182

  5. Computer - Aided- Design and New Materials

    1. Materials data for the Era of Agile Manufacturing

      • Kenneth Preiss
      Pages 183-188
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Keywords

About this book

J.-P. CALISTE, A. TRUYOL AND J. WESTBROOK The Series, "Data and Knowledge in a Changing World", exemplifies CODATA's primary purpose of collecting, from widely different fields, a wealth of information on efficient exploitation of data for progress in science and technology and making that information available to scientists and engineers. A separate and complementary CODATA Reference Series will present Directories of compiled and evaluated data and Glossaries of data-related terms. The present book "Thermodynamic Modeling and Materials Data Engineering" discusses thermodynamic, structural, systemic and heuristic approaches to the modeling of complex materials behavior in condensed phases, both fluids and solids, in order to evaluate their potential applications. Itwas inspired by the Symposium on "Materials and Structural Properties" held during the 14th International CODATA Conference in Chambery, France. The quality of the contributions to this Symposium motivated us to present" a coherent book of interest to the field. Updated contributions inspired by Symposium discussions and selections from other CODATA workshops concerning material properties data and Computer Aided Design combine to highlight the complexity of material data issues on experimental, theoretical and simulation levels Articles were selected for their pertinence in three areas. Complex data leading to interesting developments and tools such as: • new developments in state equations and their applications, • prediction and validation of physical and energy data by group correlations for pure compounds, • modeling and prediction of mixture properties.

Editors and Affiliations

  • Ministère de l’Economie, Finance et Industrie SQUALPI, Paris, France

    Jean-Pierre Caliste

  • Vaucresson, France

    Albert Truyol

  • Brookline Technologies, Ballstone Spa, USA

    Jack H. Westbrook

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