Chemical potential of liquids and mixtures via adaptive resolution simulation
نویسندگان
چکیده
منابع مشابه
Chemical potential of liquids and mixtures via adaptive resolution simulation.
We employ the adaptive resolution approach AdResS, in its recently developed Grand Canonical-like version (GC-AdResS) [H. Wang, C. Hartmann, C. Schütte, and L. Delle Site, Phys. Rev. X 3, 011018 (2013)], to calculate the excess chemical potential, μ(ex), of various liquids and mixtures. We compare our results with those obtained from full atomistic simulations using the technique of thermodynam...
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In loving memory of my mother, Jeannette, Through her actions she showed me the true meaning of courage, faith, and strength and is now the inspiration for everything in my life. iv ACKNOWLEDGEMENT There are a lot of people I would like to thank for all their support throughout the course of this project. Without their time, effort, and encouragement, this endeavor would not have been possible....
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4886807