Ginzburg-Landau free energy for molecular fluids: Determination and coarse-graining

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• 作者：Caroline Desgranges ; Jerome Delhommelle ; ^{jerome.delhommelle@und.edu}
• 关键词：Ginzburg-Landau free energy ; Argon ; Carbon dioxide ; Water ; Mean-field theory ; Wang-Landau sampling
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：669
• 期：Complete
• 页码：218-223
• 全文大小：1135 K
• 卷排序：669

文摘

Expanded Wang-Landau simulations yield Landau free energy surfaces. Parametrization of coarse-grained Ginzburg-Landau functions for Ar, CO2 and H2O. Analysis of the behavior of the parameters close to criticality. Resulting functions link the microscopic and mesoscopic scales. Development of free energy functions for hybrid simulations.