Abstract
The effect of the temperature gradient on the Soret coefficient in n-pentane/n-decane (n-C5/n-C10) mixtures was investigated using non-equilibrium molecular dynamics (NEMD) with the heat exchange (eHEX) algorithm. n-Pentane/n-decane mixtures with three different compositions (0.25, 0.5, and 0.75 mole fractions, respectively) and the TraPPE-UA force field were used in computing the Soret coefficient (
Funding source: National Natural Science Foundation of China
Award Identifier / Grant number: 51676031
Award Identifier / Grant number: 51976087
Funding statement: The present work was supported financially by the National Natural Science Foundation of China (grant numbers 51676031 and 51976087).
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