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

Bing Liu; Jiawei Li; Chao Qi; Xiaoqi Li; Tingyi Mai; Jun Zhang

doi:10.1039/c7ra09736k

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

RSC Advances ◽

10.1039/c7ra09736k ◽

2017 ◽

Vol 7 (80) ◽

pp. 50786-50793 ◽

Cited By ~ 6

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.

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Molecular dynamics simulation of the key characteristics of the supercritical CO2–pentaerythritol tetraacetate system

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024416120189 ◽

2016 ◽

Vol 90 (12) ◽

pp. 2418-2425

Author(s):

Peiyu Lei ◽

Zunlong Jin ◽

Hong Liu ◽

Dingbiao Wang ◽

Donglai Liu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Co2 ◽

Dynamics Simulation ◽

Key Characteristics

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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

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2015.05.016 ◽

2015 ◽

Vol 77 ◽

pp. 48-59 ◽

Cited By ~ 13

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

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Molecular dynamics simulation of infinitely dilute solutions of benzene in supercritical CO2

Fluid Phase Equilibria ◽

10.1016/0378-3812(95)02897-8 ◽

1996 ◽

Vol 116 (1-2) ◽

pp. 282-288 ◽

Cited By ~ 17

Author(s):

Hiroshi Inomata ◽

Shozaburo Saito ◽

Pablo G. Debenedetti

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Co2 ◽

Dynamics Simulation ◽

Dilute Solutions

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Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO2-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.3449142 ◽

2010 ◽

Vol 133 (1) ◽

pp. 014504 ◽

Cited By ~ 31

Author(s):

Ioannis Skarmoutsos ◽

Elvira Guardia ◽

Jannis Samios

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Electron Donor ◽

Simulation Study ◽

Supercritical Co2 ◽

Dynamics Simulation ◽

Donor Acceptor

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The interaction of nanoparticulate Fe3O4 during the diffusion-limited aggregation process: A molecular dynamics simulation

Powder Technology ◽

10.1016/j.powtec.2020.09.075 ◽

2020 ◽

Cited By ~ 1

Author(s):

ZhengJian Liu ◽

Qiang Cheng ◽

YaoZu Wang ◽

Kejiang Li ◽

Rongrong Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Aggregation Process ◽

Diffusion Limited Aggregation ◽

Diffusion Limited

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Structural features of binary mixtures of supercritical CO2 with polar entrainers by molecular dynamics simulation

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024413100099 ◽

2013 ◽

Vol 87 (10) ◽

pp. 1662-1667 ◽

Cited By ~ 7

Author(s):

D. L. Gurina ◽

M. L. Antipova ◽

V. E. Petrenko

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Binary Mixtures ◽

Supercritical Co2 ◽

Structural Features ◽

Dynamics Simulation

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Molecular Dynamics Simulation of a Reverse Micelle Self Assembly in Supercritical CO2

Journal of the American Chemical Society ◽

10.1021/ja048670i ◽

2004 ◽

Vol 126 (33) ◽

pp. 10254-10255 ◽

Cited By ~ 32

Author(s):

Lanyuan Lu ◽

Max L. Berkowitz

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Reverse Micelle ◽

Self Assembly ◽

Supercritical Co2 ◽

Dynamics Simulation

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Reduction in interfacial tension of water–oil interface by supercritical CO2 in enhanced oil recovery processes studied with molecular dynamics simulation

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2015.11.001 ◽

2016 ◽

Vol 111 ◽

pp. 171-178 ◽

Cited By ~ 27

Author(s):

Bing Liu ◽

Junqin Shi ◽

Muhan Wang ◽

Jun Zhang ◽

Baojiang Sun ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interfacial Tension ◽

Enhanced Oil Recovery ◽

Oil Recovery ◽

Supercritical Co2 ◽

Dynamics Simulation ◽

Recovery Processes

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Diffusion and aggregation process of oxygen embedded around an amorphous/crystal interface of Si(001) studied by molecular dynamics simulation

Journal of Applied Physics ◽

10.1063/1.4983019 ◽

2017 ◽

Vol 121 (18) ◽

pp. 185302

Author(s):

Yasushi Hoshino

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Aggregation Process ◽

Crystal Interface

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Critical Microemulsion Concentration and Molar Ratio of Water-to-Surfactant of Supercritical CO2 Microemulsions with Commercial Nonionic Surfactants: Experiment and Molecular Dynamics Simulation

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.6b00231 ◽

2016 ◽

Vol 61 (9) ◽

pp. 3135-3143 ◽

Cited By ~ 6

Author(s):

Xiang-Dong Liang ◽

Yi-Fan Liu ◽

Dan Zhou ◽

Wen Yu ◽

Jian-Zhong Yin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Co2 ◽

Nonionic Surfactants ◽

Dynamics Simulation ◽

Molar Ratio

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