Intra- and Inter-Molecular Potential Parameters for Molecular Dynamics Simulation of Benzene and Cyclohexane Mixture
Author:
Affiliation:
1. School of Natural System, College of Science and Engineering, Kanazawa University
Publisher
Society of Chemical Engineers, Japan
Subject
General Chemical Engineering,General Chemistry
Link
https://www.jstage.jst.go.jp/article/jcej/47/12/47_14we127/_pdf
Reference32 articles.
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2. Andersen, H. C.; “Rattle: A “Velocity” Version of the Shake Algorithm for Molecular Dynamics Calculations,” J. Comput. Phys., 52, 24–34 (1983)
3. Beg, S. A., N. M. Tukur, D. K. Al-Harbi and E. Hamad; “Saturated Liquid Densities of Benzene, Cyclohexane, and Hexane from 298.15 to 473.15 K,” J. Chem. Eng. Data, 38, 461–464 (1993)
4. Beg, S. A., N. M. Tukur, D. K. Al-Harbi and E. Hamad; “Densities and Excess Volumes of the Benzene–Cyclohexane System between 298.15 and 473.15 K,” Fluid Phase Equilib., 94, 289–300 (1994)
5. Casewit, C. J., K. S. Colwell and A. K. Rappe; “Application of a Universal Force Field to Organic Molecules,” J. Am. Chem. Soc., 114, 10035–10046 (1992)
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