Apparent diffusion coefficient for adsorption-controlled gas transport in nanoporous media

Z Liu, H Emami-Meybodi - Chemical Engineering Journal, 2022 - Elsevier
We present an apparent diffusion coefficient derived from a diffusion-based mass
conservation equation for single-component gas transport in nanoporous media. Multiple …

Continuum-scale gas transport modeling in organic nanoporous media based on pore-scale density distributions

Z Liu, H Emami-Meybodi - SPE Journal, 2022 - onepetro.org
We present a continuum-scale mass transport model informed by pore-scale density
distribution for gas diffusion through organic nanoporous media. A diffusion model and a …

A molecular simulation study on pore-scale behaviour of nitrogen-based fracking fluids for potential geo-energy applications

A Singh, A Sengupta, DG Roy - Microporous and Mesoporous Materials, 2024 - Elsevier
Molecular simulations are efficient tools in differentiating individual effects of fluid-fluid
interactions and pore-fluid interactions on thermophysical properties of confined fluids; eg …

Continuum-scale gas transport modeling in organic nanoporous media based on pore-scale density distributions

Z Liu, H Emami-Meybodi - SPE Annual Technical Conference and …, 2021 - onepetro.org
We present a continuum-scale diffusion-based model informed by pore-scale data for gas
transport in organic nanoporous media. A mass transfer and an adsorption model are …

Liquid-liquid phase transition in simple Lennard-Jones nano-confined fluids

N Sheibani, M Kamalvand - Fluid Phase Equilibria, 2020 - Elsevier
In this study, the phase transition of confined argon in slit by Lennard-Jones (12-6) potential
for fluids-fluids and walls-fluids interactions is investigated. The effects of temperature …

Molecular simulations for carbon dioxide capture in silica slit pores

M Kumar, A Sengupta, NB Kummamuru - Materials Today: Proceedings, 2023 - Elsevier
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations
to quantify CO 2 capture inside porous silica at high operating temperatures of 673.15 K and …