A Study on Thermodiffusion in Ternary Liquid Mixtures Using Enhanced Molecular Dynamics Algorithm with Experimental Validation

Abstract The objective of this paper is to study thermodiffusive flow in several ternary liquid mixtures of dodecane (nC12)‐1,2,3,4‐tetrahydronaphthalene (THN)‐isobutylbenzene (IBB) for four different compositions at normal pressure and temperature using our recently proposed modified heat exchange (mHEX) algorithm. Predictions from this algorithm are compared with the experimental data obtained in the reduced gravity environment. Comparisons have also been made with the standard heat exchange algorithm to show that the mHEX algorithm is significantly better in predicting the thermodiffusive separation.