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Boundary-Driven Non-Equilibrium Molecular Dynamics Calculation of the Soret Coefficient in n-Hexane/n-Dodecane Mixtures

Chen, XY; Liang, RQ; Wang, Y; Xia, ZQ; Wu, LC; Liang, Y; Cui, G

Liang, RQ (corresponding author), Northeastern Univ, Natl Educ Minist Electromagnet Proc Mat, Key Lab, Shenyang 110819, Peoples R China.; Liang, RQ (corresponding author), Linyi Univ, Sch Mech & Vehicle Engn, Linyi 276000, Shandong, Peoples R China.

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2021; 15 (3): 539

Abstract

The Soret coefficients of n-hexane/n-dodecane mixtures were calculated by the enhanced heat exchange (eHEX) algorithm with the TraPPE-UA force field. ......

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