Dissipative particle dynamics simulation on phase behavior of thermo-responsive amphiphilic copolymer PCL-PNIPAM-PCL

GUO Hongyu; CUI Jieming; SUN Delin; ZHOU Jian

doi:10.3969/j.issn.0438-1157.2012.11.048

您当前的位置：

首页 >

文章列表页 >

Dissipative particle dynamics simulation on phase behavior of thermo-responsive amphiphilic copolymer PCL-PNIPAM-PCL

更新时间：2025-12-10

- Dissipative particle dynamics simulation on phase behavior of thermo-responsive amphiphilic copolymer PCL-PNIPAM-PCL
- CIESC Journal Issue 11, Pages: 3707-3715(2012)
- 作者机构：
  
  华南理工大学化学与化工学院, 绿色化学产品技术广东省重点实验室,广东,广州,510640
- 作者简介：
- 基金信息：
- DOI：10.3969/j.issn.0438-1157.2012.11.048
  CLC： 631.1+3O642.4+2
- Online First：05 November 2012，
  
  Published：05 November 2012
- 稿件说明：
移动端阅览
GUO Hongyu, CUI Jieming, SUN Delin, et al. Dissipative particle dynamics simulation on phase behavior of thermo-responsive amphiphilic copolymer PCL-PNIPAM-PCL[J]. CIESC Journal, 2012, (11): 3707-3715.
DOI：

GUO Hongyu, CUI Jieming, SUN Delin, et al. Dissipative particle dynamics simulation on phase behavior of thermo-responsive amphiphilic copolymer PCL-PNIPAM-PCL[J]. CIESC Journal, 2012, (11): 3707-3715. DOI： 10.3969/j.issn.0438-1157.2012.11.048.

摘要

采用耗散粒子动力学模拟研究了由温敏性聚N-异丙基丙烯酰胺(PNIPAM)与聚己内酯(PCL)构成的两亲嵌段共聚物(PCL-PNIPAM-PCL)在水溶液中自组装的动力学过程及微相分离现象

考察了溶液浓度及温度对其相行为的影响。模拟发现不同体积分数的嵌段共聚物在水溶液中呈现出不同的自组装形貌

如球状胶束、柱状胶束、层状胶束等。温度对其在水溶液中的形貌及相变行为有着显著的影响。当温度较低时

PCL-PNIPAM-PCL于稀溶液中可形成稳定的以PCL为核

PNIPAM为壳的球形核壳胶束;而当温度升高到某一值时

在低温时所形成的球形核壳胶束将因温度的升高而转变为表面由PCL组成的多个不连续微区的多隔段胶束。这种温敏现象在耗散粒子动力学模拟中尚属首次被发现。另外

模拟中所得到的该体系的低临界溶解温度与实验测得的值也符合良好。对这一温敏现象作了较深入和细致的解释。本文工作表明耗散粒子动力学能用来研究温度对温敏性两亲嵌段共聚物相行为的影响并揭示其中的机制和一般规律。

Abstract

Dissipative particle dynamics(DPD)simulation was performed to study the microphase separation and self-assembly dynamics of thermo-responsive amphiphilic triblock copolymer PCL16-PNIPAM63-PCL16 in aqueous solution.The effects of temperature and volume fraction of the copolymer on its phase behavior were investigated.The simulation results showed that different self-assembly morphologies

such as sphere

cylinder

laminar etc.

could be obtained by varying the volume fraction of the copolymer.Besides

it was found that temperature had a remarkable effect on the copolymer phase behavior in dilute solution.When temperature was low

a stable spherical core-shell micelle could be obtained with PCL as its core and PNIPAM as its shell.However

with the increase of temperature to a specific value

it was clearly seen that the spherical core-shell micelle formed at a low temperature changed to a multicompartment micelle whose surface was covered by several discontinuous micro-domains formed by PCL.This thermo-responsive phenomenon was captured in DPD simulation for the first time.Moreover

the lower critical solution temperature(LCST)obtained from the simulation was in good agreement with that determined by experiment.A more detailed explanation was given to illustrate this thermo-responsive phenomenon.This work demonstrated that dissipative particle dynamics could be used to study the influence of temperature and to reveal the mechanism and general rule of the phase behavior of thermo-sensitive amphiphilic block copolymers.

关键词

Keywords

references

Views

322

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

Self-assembly behavior of amphiphilic nanoparticle in selective solvents: dissipative particle dynamics simulations

Preparation and characterization of soy β-conglycinin-dextran nanogels based on Maillard reaction

Study on foam stability regulation and structure-activity relationship of mixed anionic/cationic Gemini surfactants

Computer simulations on loading and release of antimicrobial peptides by zwitterionic copolymers

Behavior of high viscosity oil droplets in oil-water membrane separation and its influencing factors

Related Author

GUO Hao

SONG Xianyu

ZHAO Guolin

ZHAO Shuangliang

HAN Xia

LIU Honglai

FENG Jilu

QI Junru

Related Institution

State Key Laboratory of Chemical Engineering, East China University of Science and Technology

School of Chemistry and Molecular Engineering, East China University of Science and Technology

School of Food Science and Technology, South China University of Technology

Fuxin Higher Vocational College

Shandong Key Laboratory of Intelligent Magnetoelectric Equipment and Mineral Processing Technology

⁰