Molecular Simulation Studies on Thermophysical Properties With Application to Working Fluids /

This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterizati...

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Bibliographic Details
Main Author: Raabe, Gabriele (Author)
Corporate Author: SpringerLink (Online service)
Format: e-Book
Language:English
Published: Singapore : Springer Nature Singapore : 2017.
Imprint: Springer,
Edition:1st ed. 2017.
Series:Molecular Modeling and Simulation, Applications and Perspectives,
Subjects:
Thermodynamics.
Heat engineering.
Heat transfer.
Mass transfer.
Fluid mechanics.
Atomic structure  .
Molecular structure .
Engineering Thermodynamics, Heat and Mass Transfer.
Engineering Fluid Dynamics.
Atomic and Molecular Structure and Properties.
Online Access:Full-text access
Table of Contents:
  • Introduction
  • Introduction to Statistical Mechanics
  • Monte Carlo Simulations
  • Molecular Dynamics Simulations
  • Running Molecular Simulations
  • Molecular Models (Force Fields)
  • Thermophysical and Structural Properties from Molecular Simulation
  • Applications of Molecular Simulations to Studies on Working Fluids
  • Conclusion and Outlook
  • A Force Field Parameters.

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