文献类型：期刊文献

英文题名：A self-consistent renormalisation group theory for critical asymmetry of one-component fluids

作者：Zhou, Zhiyu[1];Cai, Jun[1];Hu, Ying[1]

机构：[1]East China Univ Sci & Technol, Sch Chem & Mol Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2022

卷号：120

期号：3

外文期刊名：MOLECULAR PHYSICS

收录：;EI(收录号：20214110993654);WOS:【SCI-EXPANDED(收录号:WOS:000704275200001)】；

基金：This work was supported by National Natural Science Foundation of China [grant number 20973062].

语种：英文

外文关键词：Critical asymmetry; complete scaling; renormalisation group; equation of state; isochoric heat capacity

摘要：Recently, it has been shown that an asymmetric gradient term should be added to the Landau-Ginzburg type Hamiltonian for one-component fluids to produce the correct critical asymmetry of vapour-liquid equilibrium. However, the coefficient of the asymmetric gradient was treated as an adjustable parameter. In this work, we show this asymmetric gradient is related to the local part of the effective Hamiltonian and its coefficient should also be determined according to the effective Hamiltonian. We develop a self-consistent method and apply it to various one-component fluid systems. The calculated vapour-liquid coexistence diameters and the isochoric heat capacities are in good agreement with the simulation and the experimental data. Furthermore, the RG treatment yields another major field-mixing coefficient which is very close to the prediction of the classical equation of state, implying that our RG calculations preserve the critical asymmetry intrinsic to the classical equation of state and the effective Hamiltonian is correctly constructed. Given the coefficient of the asymmetric gradient modification, i.e. u(1), one can perform RG calculations to get the value of the field-mixing coefficient a(3) that depends on u(1). Considering that the classical EOS also predicts reasonable accurate value of a(3), we tune the value of u(1) to make the a(3) obtained from RG calculations identical to that from the classical EOS. Thus, we fix the parameter u(1). Then the calculations of thermodynamic properties can be accomplished without difficulty.