Heterogeneous Cluster Energetics and Nonlinear Thermodynamic Response in Supercritical Fluids

被引：0
作者：
Fan, Jingcun [1 ]
Ly, Nguyen [1 ]
Ihme, Matthias [1 ,2 ,3 ]
机构：
[1] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA
[2] SLAC Natl Accelerator Lab, Dept Photon Sci, Menlo Pk, CA 94025 USA
[3] Stanford Univ, Dept Energy Sci & Engn, Stanford, CA 94305 USA
来源：
PHYSICAL REVIEW LETTERS | 2024年 / 133卷 / 24期
关键词：
MOLECULAR-DYNAMICS SIMULATION; CARBON-DIOXIDE; WIDOM LINE; CO2; SEQUESTRATION; INHOMOGENEITY; CROSSOVER; BEHAVIOR; SYSTEMS;
D O I：
10.1103/PhysRevLett.133.248001
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Microstructural heterogeneities arising from molecular clusters directly affect the nonlinear thermodynamic properties of supercritical fluids. We present a physical model to elucidate the relation between energy exchange and heterogeneous cluster dynamics during the transition from liquidlike to gaslike conditions. By analyzing molecular-dynamics data and employing physical principles, the model considers contributions from three key processes, namely, changing cluster density, cluster separation, and transfer of molecules between clusters. We show that the proposed model is consistent with the energetics at subcritical conditions and can be used to explain the nonlinear behavior of thermodynamic response functions, including the peak in the isobaric heat capacity.
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页数：7
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