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Molecular Simulation Studies on Thermophysical Properties

von Gabriele Raabe
Softcover - 9789811099014
160,49 €
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Hardcover - 9789811035449
160,49 €

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Weitere Formate

Hardcover - 9789811035449
160,49 €

Beschreibung

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 parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.

With Application to Working Fluids

With Application to Working Fluids

Details

Verlag Springer Singapore
Ersterscheinung 14. Juli 2018
Maße 23.5 cm x 15.5 cm
Gewicht 686 Gramm
Format Softcover
ISBN-13 9789811099014
Auflage Softcover reprint of the original 1st ed. 2017
Seiten 306