Effect of nanopore network connectivity on the phase behavior of confined associating fluids

被引:0
作者
Mandal, Sashanka Sekhar [1 ]
Singh, Sudhir Kumar [2 ]
Khan, Sandip [1 ]
机构
[1] Indian Inst Technol Patna, Dept Chem & Biochem Engn, Patna 801106, India
[2] Thapar Inst Engn & Technol, Dept Chem Engn, Patiala 147004, India
关键词
Monte Carlo simulation; Confined heterogeneous pore; Fluid phase behavior; Associating fluids; MOLECULAR SIMULATION; PORE BLOCKING; SEPARATION; FILMS; EQUILIBRIA; CAVITATION; TRANSITION; TRANSPORT;
D O I
10.1016/j.fluid.2024.114235
中图分类号
O414.1 [热力学];
学科分类号
摘要
We investigate the phase behavior of associating fluids inside heterogeneous slit pores. Two distinct phase transitions are observed for connected pores of two slit widths for both hard and attractive walls. In the case of the hard wall, the wider pore undergoes the vapor-liquid transition earlier than the narrower pore due to its weaker confinement and increased fluid interactions. In the case of an attractive pore surface, the narrower pore undergoes the vapor-liquid transition earlier than the wider pore. This can be attributed to the enhanced surface interactions in the narrower pore, which promote the condensation of the fluid phase. The x-density profile of the systems reveals that the interfacial fluid molecules play an essential role in early/delayed phase transition in the respective pores of the heterogeneous systems.
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页数:7
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