Description
Molecular Simulation Studies on Thermophysical Properties, 1st ed. 2017
With Application to Working Fluids
Molecular Modeling and Simulation Series
Author: Raabe Gabriele
Language: EnglishSubjects for Molecular Simulation Studies on Thermophysical Properties:
Publication date: 02-2017
Support: Print on demand
Publication date: 07-2018
Support: Print on demand
Description
/li>Contents
/li>Biography
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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.
Dr. Gabriele Raabe graduated in Mechanical Engineering. She received her Ph.D. in experimental studies on vapor–liquid phase equilibria at low temperatures and their modeling by equations of state. She continued to work as thermodynamicist and senior scientist at the Institute for Thermodynamics, TU Braunschweig, and her research activities involve the modeling and prediction of thermophysical properties, focusing on force-field modeling and molecular simulation studies with a wide range of applications that cover, for instance, predicting the thermophysical properties of working fluids and refrigerants, studies on ionic liquids and simulations of drug solubilities. She also has many years of experience in teaching master’s courses on molecular simulations and thermodynamics of mixtures.