B Coasne, A Galarneau, RJM Pellenq… - Chemical Society …, 2013 - pubs.rsc.org
This review presents the state of the art of molecular simulation and theory of adsorption, intrusion and freezing in porous silica. Both silica pores of a simple geometry and …
We present a new model of adsorption on micro-mesoporous carbons based on the quenched solid density functional theory (QSDFT). QSDFT quantitatively accounts for the …
C Qin, Y Jiang, J Zhou, S Zuo, S Chen, Z Liu, H Yin… - Energy, 2022 - Elsevier
The wettability of reservoir rocks is considered to be closely related to fluid distribution and CO 2 geo-storage (CGS) security after injecting CO 2 into reservoir. To investigate the …
We present a novel quenched solid density functional theory (QSDFT) model of adsorption on heterogeneous surfaces and porous solids, which accounts for the effects of surface …
C Qin, Y Jiang, J Zhou, X Song, Z Liu, D Li… - Chemical Engineering …, 2021 - Elsevier
Competitive adsorption characteristics of CO 2/CH 4 on shales before and after supercritical CO 2 (ScCO 2) extraction are closely related to CO 2 injection in shale reservoir for CO 2 …
Y Gao, H Zhu, X Wang, R Shen, X Zhou, X Zhao, Z Li… - Small, 2023 - Wiley Online Library
The construction of commercial surface enhanced Raman scattering (SERS) sensors suitable for clinical applications is a pending problem, which is heavily limited by the low …
Molecular modeling at the electronic and atomistic levels plays an important and complementary role to experimental studies of confinement effects. Theory and atomistic …
C Qin, Y Jiang, Y Fu, S Chen, X Song, S Zuo, D Wu… - Energy, 2023 - Elsevier
The shale-CH 4 interaction after supercritical CO 2 (ScCO 2) injection can be well interpreted by adsorption thermodynamics study. Using a gravimetric method, the methane …
C Qin, Y Jiang, S Zuo, S Chen, S Xiao, Z Liu - Energy, 2021 - Elsevier
The adsorption kinetics behaviors of CH 4 and CO 2 on shale are closely related to CO 2 sequestration and enhanced shale gas recovery (CS-ESGR). To investigate the influence of …