Molecular simulation of adsorption and diffusion behavior of CO2 in ...

In this study, Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations are used to obtain the adsorption and diffusion behavior of CO 2 in ...

Molecular Simulation of Adsorption and Diffusion Behavior of CO2 in ...

Molecular Simulation of Adsorption and Diffusion Behavior of CO2 in. Bakken Nano-Porous Media for Enhanced Oil Recovery Assessment. Abdelmalek ...

Molecular Simulation Study on Adsorption and Diffusion Behaviors ...

The number of CO2 molecules adsorbed in the coal molecular model was significantly larger than N2 molecules at 298.15 K. When the temperature ...

Molecular simulation of adsorption and diffusion behavior of CO2 in ...

In this study, Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations are used to obtain the adsorption and diffusion behavior of CO2 in ...

Molecular Simulation of Adsorption and Diffusion Behavior of CO2 in ...

Molecular Simulation of Adsorption and Diffusion Behavior of CO2 in Bakken Nano-Porous Media for Enhanced Oil Recovery Assessment · Split-Screen.

Molecular simulation study of adsorption-diffusion of CH4, CO2 and ...

The adsorption behavior of CH4, CO2 and H2O molecules on the macromolecular structural model of Jixi gas-fat coal were investigated based on the ...

Molecular Simulation Study on Adsorption and Diffusion Behaviors ...

The adsorption capacity was positively correlated with the pressure and molar ratio of CO2 but negatively correlated with the temperature. The ...

Molecular simulation of CO2/N2 injection on CH4 adsorption and ...

The adsorption module determines the adsorption behavior of the molecule by evaluating the potential energy of the global minimum point ...

Molecular simulation of adsorption and diffusion behavior of CO2 in ...

Molecular simulation of adsorption and diffusion behavior of CO2 in pyrophyllite ... To read the full-text of this research, you can request a copy directly from ...

Molecular Simulation Study on Adsorption and Diffusion Behaviors ...

Understanding the adsorption and diffusion of CO 2 and N 2 in lignite at high temperature is of great significance for fire prevention and control.

Molecular simulation of adsorption behaviors of methane and ...

Molecular simulation of adsorption behaviors of methane and carbon dioxide on typical clay minerals ... Knowledge of the interaction mechanisms ...

Molecular Simulation Study on Adsorption and Diffusion Behaviors ...

At high temperature, the adsorption amount of CO2 and N2 is basically equal, both of which are at a low level, and van der Waals energy plays a dominant ...

Molecular simulation of adsorption and diffusion behavior of CO2 in ...

Molecular simulation of adsorption and diffusion behavior of CO2 in pyrophyllite · List of references · Publications that cite this publication.

Molecular simulation of CO2/CH4/H2O competitive adsorption and ...

In the present work, the mechanism of competitive adsorption and diffusion of CO2/CH4/H2O mixture in brown coal were investigated by employing ...

Adsorption and Diffusion Characteristics of CO 2 and CH 4 in ... - MDPI

Adsorption and Diffusion Characteristics of CO2 and CH4 in Anthracite Pores: Molecular Dynamics Simulation. by. Yufei Gao.

Molecular Dynamics Simulation of Diffusion Behavior of CH 4 , CO 2 ...

In the saturated adsorption state, the diffusion activation energies of CH4, CO2, and N2 were ordered as CH4 (27.388 kJ/mol) > CO2 (11.832 kJ/mol) > N2 (10.396 ...

Molecular simulation of the adsorption and diffusion properties of ...

List of references · Li, Coal-CH4/CO2 high-low orbit adsorption characteristics based on molecular simulation, Fuel, № 315 · Song, Diffusion of guest molecules in ...

Insights into adsorption and diffusion of CO2, CH4 and their mixture ...

Insights into adsorption and diffusion of CO2, CH4 and their mixture in MIL-101(Cr) via molecular simulation · Abstract / Description of output.

Molecular Dynamics Simulation of Diffusion Behavior of CH 4 , CO 2 ...

However, when MRCV adsorbed the same amounts of CH 4 , CO 2 , and N 2 , the self- and transport diffusion coefficients followed the order of D S (N 2 ) > D S ( ...

A molecular simulation study of CO2 adsorption in metal-organic ...

... CO2 adsorption, diffusion, molecular dynamics simulation. Page 5. iv. LIST ... the diffusion behavior of adsorbed molecules in the system. It determines ...