Authors:
- Provides a comprehensive, up-to-date summary of molecular modeling and simulation techniques
- Presents an introduction to the theoretical framework of statistical thermodynamics
- Offers an entire chapter devoted to force-field models for molecular simulations with discussions of specific aspects
- Includes a special chapter on the analysis of simulation outputs to derive thermophysical and structural properties
- Discusses applications to recently introduced working fluids as highly relevant components
- Includes supplementary material: sn.pub/extras
Part of the book series: Molecular Modeling and Simulation (MMAS)
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Table of contents (9 chapters)
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Front Matter
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Back Matter
About this book
Authors and Affiliations
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Institut für Thermodynamik, TU Braunschweig, Braunschweig, Germany
Gabriele Raabe
About the author
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.
Bibliographic Information
Book Title: Molecular Simulation Studies on Thermophysical Properties
Book Subtitle: With Application to Working Fluids
Authors: Gabriele Raabe
Series Title: Molecular Modeling and Simulation
DOI: https://doi.org/10.1007/978-981-10-3545-6
Publisher: Springer Singapore
eBook Packages: Engineering, Engineering (R0)
Copyright Information: Springer Nature Singapore Pte Ltd. 2017
Hardcover ISBN: 978-981-10-3544-9Published: 24 February 2017
Softcover ISBN: 978-981-10-9901-4Published: 14 July 2018
eBook ISBN: 978-981-10-3545-6Published: 17 February 2017
Series ISSN: 2364-5083
Series E-ISSN: 2364-5091
Edition Number: 1
Number of Pages: XXV, 306
Number of Illustrations: 89 b/w illustrations
Topics: Engineering Thermodynamics, Heat and Mass Transfer, Engineering Fluid Dynamics, Atomic/Molecular Structure and Spectra