| 书目名称 | Molecular Simulation Studies on Thermophysical Properties |
| 副标题 | With Application to |
| 编辑 | Gabriele Raabe |
| 视频video | |
| 概述 | 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 chapte |
| 丛书名称 | Molecular Modeling and Simulation |
| 图书封面 |  |
| 描述 | 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. |
| 出版日期 | Book 2017 |
| 关键词 | Molecular modeling; Force field development; Thermophysical properties of molecules; Working fluids; Sta |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-981-10-3545-6 |
| isbn_softcover | 978-981-10-9901-4 |
| isbn_ebook | 978-981-10-3545-6Series ISSN 2364-5083 Series E-ISSN 2364-5091 |
| issn_series | 2364-5083 |
| copyright | Springer Nature Singapore Pte Ltd. 2017 |
发表于 2025-3-21 18:08:27
