Molecular Simulation Studies on the Interaction of Polymer and Surfactant: A Review

Gang WU; Xian-jing JI; Tian-tian ZHANG; Shuang-qing SUN; Chun-ling LI; Song-qing HU

doi:10.14028/j.cnki.1003-3726.2016.08.006

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Molecular Simulation Studies on the Interaction of Polymer and Surfactant: A Review

更新时间：2022-09-12

- Molecular Simulation Studies on the Interaction of Polymer and Surfactant: A Review
- Polymer Bulletin Vol. 29, Issue 8, Pages: 51-60(2016)
- 作者机构：
  
  1.中国石油大学（华东）理学院，青岛 266580
  2.华北油田公司采油工程研究院，任丘 062552
- 作者简介：
- 基金信息：
- DOI：10.14028/j.cnki.1003-3726.2016.08.006
  CLC：
- Published：20 August 2016，
  
  Received：09 December 2015，
  
  Revised：27 March 2016，
扫描看全文
Gang WU, Xian-jing JI, Tian-tian ZHANG, Shuang-qing SUN, Chun-ling LI, Song-qing HU. Molecular Simulation Studies on the Interaction of Polymer and Surfactant: A Review. [J]. Polymer Bulletin 29(8):51-60(2016)
DOI：

Gang WU, Xian-jing JI, Tian-tian ZHANG, Shuang-qing SUN, Chun-ling LI, Song-qing HU. Molecular Simulation Studies on the Interaction of Polymer and Surfactant: A Review. [J]. Polymer Bulletin 29(8):51-60(2016) DOI： 10.14028/j.cnki.1003-3726.2016.08.006.

摘要

聚合物与表面活性剂复配体系已广泛应用于医药、生物、石油石化等领域。从微观上认识其相互作用机理对指导其生产实际有着重要作用，因而此方面的研究倍受关注。随着分子模拟技术的发展，聚合物与表面活性剂在分子水平上的相互作用机理研究已经被广泛开展，并获得了大量有用的信息。本文综述了耗散粒子动力学(DPD)和粗粒度分子动力学(CG-MD)在聚合物与表面活性剂相互作用方面的应用，分别对中性聚合物与离子型表面活性剂，以及带相反电荷的聚电解质和表面活性剂在溶液相和界面相的相互作用进行了阐述，并揭示了聚合物/表面活性剂聚集体结构形态的变化规律。

Abstract

Polymer/surfactant mixtures are widely used in medicine

biochemistry

petrochemical industry

etc. The understanding on the interaction of polymer and surfactant is significant to guide their application

which therefore attracts many attentions from researchers in this field. With the recent advances in molecular simulations

the interaction of polymer and surfactant has been extensively studied at the molecular level. This article reviews the researches on the interaction of polymer and surfactant in the solution or at the interface based on dissipative particle dynamics (DPD) and coarse-grained molecular dynamics (CG-MD) methods. This review is mainly focused on the neutral polymer/ionic surfactant system and the opposite charged polymer/surfactant system in order to reveal the aggregation behavior of different polymer/surfactant mixtures.

关键词

聚合物与表面活性剂复配体系耗散粒子动力学粗粒度分子动力学聚集行为相互作用

Keywords

Polymer/surfactant mixturesDissipative particle dynamicsCoarse-grained molecular dynamicsAggregation behaviorInteraction

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