Molecular dynamics simulation of the interaction between palmitic acid and high pressure CO2

In this study, molecular dynamics simulation was used to explore the interaction characteristics of palmitic acid and CO2, and the effects of temperature and pressure on the solubility of palmitic acid in CO2 were investigated. In the range of 293–353 K and 5–30 MPa, the snapshot of palmitic acid di...

Full description

Bibliographic Details
Main Authors: Fei Li, Fayu Sun, Zirui Li, Zihao Zheng, Weiqiang Wang
Format: Article
Language:English
Published: The Royal Society 2023-11-01
Series:Royal Society Open Science
Subjects:
Online Access:https://royalsocietypublishing.org/doi/10.1098/rsos.231141