The interplay between the paracetamol polymorphism and its molecular structures dissolved in supercritical CO2 in contact with the solid phase: In situ vibration spectroscopy and molecular dynamics simulation analysis

2015 ◽  
Vol 77 ◽  
pp. 48-59 ◽  
Author(s):  
Roman D. Oparin ◽  
Myriam Moreau ◽  
Isabelle De Walle ◽  
Marco Paolantoni ◽  
Abdenacer Idrissi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Supercritical Co2 ◽  
Simulation Analysis ◽  
Solid Phase ◽  
Molecular Structures ◽  
Dynamics Simulation ◽  
Vibration Spectroscopy

Molecular dynamics simulation and in-situ MRI observation of organic exclusion during CO2 hydrate growth

2021 ◽  
Vol 764 ◽  
pp. 138287
Author(s):  
Lunxiang Zhang ◽  
Lingjie Sun ◽  
Yi Lu ◽  
Yangmin Kuang ◽  
Zheng Ling ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation

Molecular dynamics simulation analysis of conessine against multi drug resistant Serratia marcescens

2019 ◽  
Vol 67 ◽  
pp. 101-111
Author(s):  
Kalyani Dhusia ◽  
Kalpana Raja ◽  
Pierre Paul Michel Thomas ◽  
Pramod K. Yadav ◽  
Pramod W. Ramteke
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Serratia Marcescens ◽  
Simulation Analysis ◽  
Dynamics Simulation ◽  
Drug Resistant

scholarly journals Mechanism of asphaltene aggregation induced by supercritical CO2: insights from molecular dynamics simulation

RSC Advances ◽  
2017 ◽  
Vol 7 (80) ◽  
pp. 50786-50793 ◽  
Author(s):  
Bing Liu ◽  
Jiawei Li ◽  
Chao Qi ◽  
Xiaoqi Li ◽  
Tingyi Mai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Supercritical Co2 ◽  
Selective Extraction ◽  
Dynamics Simulation ◽  
Aggregation Process

Asphaltene was found first separated and then associated in aggregation process due to the selective extraction.

Sign in / Sign up

Export Citation Format

Share Document