Molecular Simulation Studies on Thermophysical Properties (Record no. 81042)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 03580nam a22006015i 4500 |
| 001 - CONTROL NUMBER | |
| control field | 978-981-10-3545-6 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20220801222701.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 170217s2017 si | s |||| 0|eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| ISBN | 9789811035456 |
| -- | 978-981-10-3545-6 |
| 082 04 - CLASSIFICATION NUMBER | |
| Call Number | 621.4021 |
| 100 1# - AUTHOR NAME | |
| Author | Raabe, Gabriele. |
| 245 10 - TITLE STATEMENT | |
| Title | Molecular Simulation Studies on Thermophysical Properties |
| Sub Title | With Application to Working Fluids / |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 1st ed. 2017. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Number of Pages | XXV, 306 p. 89 illus. |
| 490 1# - SERIES STATEMENT | |
| Series statement | Molecular Modeling and Simulation, Applications and Perspectives, |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Remark 2 | 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. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | 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. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | https://doi.org/10.1007/978-981-10-3545-6 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | eBooks |
| 264 #1 - | |
| -- | Singapore : |
| -- | Springer Nature Singapore : |
| -- | Imprint: Springer, |
| -- | 2017. |
| 336 ## - | |
| -- | text |
| -- | txt |
| -- | rdacontent |
| 337 ## - | |
| -- | computer |
| -- | c |
| -- | rdamedia |
| 338 ## - | |
| -- | online resource |
| -- | cr |
| -- | rdacarrier |
| 347 ## - | |
| -- | text file |
| -- | |
| -- | rda |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Thermodynamics. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Heat engineering. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Heat transfer. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Mass transfer. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Fluid mechanics. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Atomic structure . |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Molecular structure . |
| 650 14 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Engineering Thermodynamics, Heat and Mass Transfer. |
| 650 24 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Engineering Fluid Dynamics. |
| 650 24 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Atomic and Molecular Structure and Properties. |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| -- | 2364-5091 |
| 912 ## - | |
| -- | ZDB-2-ENG |
| 912 ## - | |
| -- | ZDB-2-SXE |
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