A molecular dynamics investigation on CO2–H2O–CH4 surface tension and CO2–CH4–H2O–graphite sheet contact angles

A molecular dynamics investigation on CO2–H2O–CH4 surface tension and CO2–CH4–H2O–graphite sheet contact angles

Introduction: We perform molecular dynamics (MD) simulations of nanoscopic liquid water drops on a graphite substrate mimicking the carbon-rich pore surface in the presence of CH4/CO2 mixtures at temperatures in the range 300 K–473 K.Methods: The surface tension in MD simulation is calculated via vi...

Full description

Bibliographic Details
Main Authors: Wei Yong, Zhi-jie Wei, Yu-yang Liu, De-qiang Wang, Yong-zheng Cui
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-10-01
Series:Frontiers in Energy Research
Subjects:
surface tension
contact angle
surface roughness
molecular dynamics
CO2/H2O/CH4 mixture
Online Access:https://www.frontiersin.org/articles/10.3389/fenrg.2023.1271359/full

Internet

https://www.frontiersin.org/articles/10.3389/fenrg.2023.1271359/full

Similar Items