Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement
An in-depth review of the available experimental and molecular simulation studies of CO2
diffusion in H2O, which is a central property in important industrial and environmental …
diffusion in H2O, which is a central property in important industrial and environmental …
Unveiling gas transport mechanisms in tunable MXene nanochannels: Insights from molecular dynamics simulations
X Qiu, Y Zheng, H Li, K Qu, H Yan, R Li - Journal of Membrane Science, 2025 - Elsevier
MXene-based membranes have shown tremendous potential in gas separation
applications. Here, molecular dynamics (MD) simulations are used to investigate the effects …
applications. Here, molecular dynamics (MD) simulations are used to investigate the effects …
Semiempirical equations of state of H2O/CO2 binary mixtures in graphite nanoslits
The existence of confining walls limits the prediction accuracy of nanoconfined fluids using
macroscopic equations of state (EOSs); moreover, appropriate EOSs for multicomponent …
macroscopic equations of state (EOSs); moreover, appropriate EOSs for multicomponent …
Multicomponent Fluid (H2/CO2-CH4-H2O) Occurrence Characteristics in Shale Nanopores: Insights from MD Simulations
Y Zhao, B Guan, H Hu, S Wang, S Wang… - SPE Asia Pacific Oil …, 2023 - onepetro.org
Due to the emissions of greenhouse gasses, the climate change has greatly threatened
people's living environment, urging to reduce CO2 in the atmosphere and promote carbon …
people's living environment, urging to reduce CO2 in the atmosphere and promote carbon …