Some geothermal formations may contain a large concentration of CO2 and a very high
vertical temperature gradient. It is likely that there may be significant variation in the CO2 …

The faculty of engineering at McMaster University is very diverse with students coming from
a variety of socio-economic backgrounds and nationalities. There is an expected level of …

The influence of high pressure on the Soret effect of multicomponent n-alkanes mixtures was
investigated with the non-equilibrium molecular dynamics method to provide simulation …

In this work, the accuracy of the Soret effect was investigated at the situation of T= 303.15 K
and P= 1.0 atm. The eHEX (enhanced heat exchange) algorithm and the TraPPE-UA force …

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

Equimolar mixtures composed of isomers were firstly used to investigate the molecular
branching effect on thermal diffusion behavior, which was not disturbed by factors of …

Utilisation of renewable biofuels (rapeseed oil, soy oil, dimethyl carbonate, cyclopentanone,
methyl butanoate, dimethoxymethane and ethanol) is essential to achieving net-zero carbon …

This thesis introduces an enhanced Molecular Dynamics (MD) approach, blended with fine-
tuned Force Field (FF) models to reflect more realistic experimental conditions and achieve …