Effect of Salinity on CO2 Thermodiffusion in Aqueous Mixtures by Molecular Dynamics Simulations
FM Coelho, LFM Franco… - … Sustainable Chemistry & …, 2023 - ACS Publications
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 …
vertical temperature gradient. It is likely that there may be significant variation in the CO2 …
Thermodiffusion of CO2 in Water by Nonequilibrium Molecular Dynamics Simulations
FM Coelho, LFM Franco… - The Journal of Physical …, 2023 - ACS Publications
The components of a fluid mixture may segregate due to the Soret effect, a coupling
phenomenon in which mass flux can be induced by a thermal gradient. In this work, we …
phenomenon in which mass flux can be induced by a thermal gradient. In this work, we …
Molecular Dynamics Simulation of the Soret Effect on Two Binary Liquid Solutions with Equimolar n-Alkane Mixtures
J Zhong, R Zhao, W Ouyang, S Xu - ACS omega, 2021 - ACS Publications
Molecular dynamics is employed to simulate the Soret effect on two binary liquid solutions
with equimolar mixtures: normal pentane (n-pentane, nC-5) and normal heptane (n-heptane …
with equimolar mixtures: normal pentane (n-pentane, nC-5) and normal heptane (n-heptane …
[PDF][PDF] A Software Suite for Self-Paced Learning.
M Zhang, ZX Gu, A Amer, G Sidhu… - International Journal of …, 2022 - ms.mcmaster.ca
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 …
a variety of socio-economic backgrounds and nationalities. There is an expected level of …
[HTML][HTML] Computer modeling of thermotransport in a uniform binary liquid solution with equimolar n-alkane mixtures
J Zhong, S Xu - Physics of Fluids, 2023 - pubs.aip.org
By means of molecular dynamics (MD), two novel methods, a thermal mean-path that may
outline temperature profiles effectively in the MD system and a modified coarse-grained …
outline temperature profiles effectively in the MD system and a modified coarse-grained …
Molecular Dynamics Simulation of the Thermal Diffusion Effect in n-Alkane Binary Mixtures
F Chen, H Nasrabadi - The Journal of Physical Chemistry B, 2022 - ACS Publications
In oil and gas reservoirs, the thermal diffusion effect leads to compositional variations of
hydrocarbon fluids in both horizontal and vertical directions. Compared with experimental …
hydrocarbon fluids in both horizontal and vertical directions. Compared with experimental …
[HTML][HTML] Composition effect on thermophobicity of ternary mixtures: An enhanced molecular dynamics method
Thermodiffusion or the Ludwig-Soret effect is known as the cross effect between the
temperature gradient and induced separation of mixture species in multicomponent …
temperature gradient and induced separation of mixture species in multicomponent …
Study of the pressure effect on the thermodiffusion behavior in multicomponent n-alkane mixtures by using non-equilibrium molecular dynamics
X Chen, B Liu, R Liang, S Xiao - Physica Scripta, 2022 - iopscience.iop.org
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 …
investigated with the non-equilibrium molecular dynamics method to provide simulation …
A theoretical study of the temperature gradient effect on the Soret coefficient in n-pentane/n-decane mixtures using non-equilibrium molecular dynamics
X Chen, R Liang, Y Wang, Z Xia, L Wu… - Journal of Non …, 2020 - degruyter.com
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) …
C5/n-C10) mixtures was investigated using non-equilibrium molecular dynamics (NEMD) …
All-and one-particle distribution functions at nonequilibrium steady state under thermal gradient
We provide a concrete expression for the phase-space distribution function at
nonequilibrium steady state under a constant thermal gradient, which is a typical system of …
nonequilibrium steady state under a constant thermal gradient, which is a typical system of …