Molecular dynamics simulations of the self-organization of side-chain decorated polyaromatic conjugation molecules: phase separated lamellar and columnar structures and dispersion behaviors in toluene solvent-Reference-Cited by-同舟云学术

Molecular dynamics simulations of the self-organization of side-chain decorated polyaromatic conjugation molecules: phase separated lamellar and columnar structures and dispersion behaviors in toluene solvent

Published:2018 Issue:20 Volume:8 Page:11134-11144
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

He Lanyan¹²³⁴,Wang Pingmei⁵⁶⁷⁴⁸,He Lipeng⁵⁶⁷⁴⁸,Qu Zhou¹²³⁴,Luo Jianhui⁵⁶⁷⁴⁸,Peng Baoliang⁵⁶⁷⁴⁸^ORCID,Tang Xianqiong⁹³¹⁰⁴,Pei Yong¹²³⁴^ORCID

Affiliation:

1. Key Laboratory for Green Organic Synthesis and Application of Hunan Province

2. Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education

3. Xiangtan University

4. China

5. Research Institute of Petroleum Exploration & Development (RIPED)

6. PetroChina

7. Beijing 100083

8. Key Laboratory of Nano Chemistry (KLNC)

9. Department of Civil Engineering and Mechanics

10. Xiangtan 411105

Abstract

The self-organization of five model side-chain decorated polyaromatic asphaltene molecules with or without toluene solvent was investigated by means of molecular dynamic (MD) simulations.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C7RA13101A

Reference43 articles.

1. Aggregation and solubility behavior of asphaltenes and their subfractions

2. Quantitative Molecular Representation and Sequential Optimization of Athabasca Asphaltenes

3. J. G.Speight , Fuel Science and Technology Handbook , New York , 1990

4. Nanoaggregates and Structure−Function Relations in Asphaltenes

5. Small angle X-ray scattering from coal-derived liquids

Cited by 13 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Testing the Simplified Molecular Dynamics Approach to Improve the Reproduction of ECD Spectra and Monitor Aggregation;International Journal of Molecular Sciences;2024-06-12

2. Effects of graphene and thermoplastic elastomer on tailoring the bulk properties of asphaltenes: an exploration from classical and quantum simulations;Structural Chemistry;2024-04-30

3. Molecular dynamics simulations of aggregation and viscosity properties of model asphaltene molecules containing a polycyclic hydrocarbon nucleus with toluene additive under shear interactions;RSC Advances;2024

4. Alternation of asphaltene binding arrangement in the presence of chemical inhibitors: Molecular dynamics simulation strategy;Fuel;2023-03

5. Influencing Molecular Dynamics Simulations of Ion-Exchange Membranes by Considering Comonomer Propagation;Macromolecules;2023-01-23