Thermodynamic Modeling and Materials Data Engineering

ISBN: 978-3-642-72209-7 (Print) 978-3-642-72207-3 (Online)

Table of contents (40 chapters)

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  1. Front Matter

    Pages I-X

  2. New Developments in State Equations and Their Application

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      Pages 1-10

      The Extended Application of a TENSG, VI. Theoretical Method for Calculation of Gaseous Heat Capacity

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      Pages 11-20

      PVT Measurements of Methanol and its Specific Equation of State

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      Pages 21-32

      Enthalpy of Vaporization of N-Alkanes (from Nonane to Pentadecane). Experimental Results - Correlation

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      Pages 33-38

      Aims and Achievements of the Scientific Group Thermodata Europe

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      Pages 39-52

      First Principles Calculations of Binary Alloy Phase Diagrams

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      Pages 53-70

      Evaluation of Equations of State at High Pressure for Light Hydrocarbons

  3. Predictions and Validation of Physical and Energy Data

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      Pages 71-78

      Thermochemical Mimicry

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      Pages 79-84

      Computer-Aided Inorganic Properties Estimation System

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      Pages 85-94

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

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      Pages 95-108

      Model for the Critical Evaluation of Solubility Data in Salt Systems

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      Pages 109-114

      On the Expert Thermodynamic Analysis of Power Engineering Problems

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      Pages 115-128

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

  4. Understanding Complex Systems

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      Pages 129-134

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

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      Pages 135-142

      Surface Thermodynamics of Solid Materials by Inverse Gas Chromatography

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      Pages 143-150

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

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      Pages 151-160

      Thermodynamic Models for Monitoring Deoxidation Treatments and Controlling Inclusions in Steels

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      Pages 161-168

      A Technique for Studying the Particle Impact Phenomena in Plasma Spraying

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      Pages 169-182

      The Application of Thermodynamics to the Development of Processes and Materials

  5. Computer - Aided- Design and New Materials

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      Pages 183-188

      Materials data for the Era of Agile Manufacturing

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      Pages 189-224

      Materials Data Requirements for Computer Simulation in Design and Manufacture

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