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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| Main Author | |
|---|---|
| Format | Electronic eBook |
| Language | English |
| Published |
Singapore :
Springer,
[2017]
|
| Series | Molecular modeling and simulation.
|
| Subjects | |
| Online Access | Full text |
| ISBN | 9789811035456 9789811035449 |
| ISSN | 2364-5091 |
| Physical Description | 1 online resource |
Cover
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.