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China Surfactant Detergent & Cosmetics ›› 2020, Vol. 50 ›› Issue (4): 213-219.doi: 10.3969/j.issn.1001-1803.2020.04.001

• Basic research •     Next Articles

Mesoscale Brownian dynamics simulation on the self-assembly behaviors of rodlike micelles of CTAC/NaSal surfactants

LI Jun1,ZHANG Xing-fang1,ZHANG Cheng-wei2,XU Na1,3()   

  1. 1. College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan, Shanxi 030024, China
    2. College of Chemistry and Chemical Engineering, Chongqing University of Technology, Chongqing 400054, China
    3. NaFine Chemical Industry Group Co., Ltd., Yuncheng, Shanxi 044000, China
  • Received:2019-09-26 Revised:2019-11-07 Online:2020-04-22 Published:2020-04-24
  • Contact: Na XU E-mail:naxu_xjtu@163.com

Abstract:

Surfactant molecules can self-assemble into a variety of micellar structures in solution, and consequently, the surfactant solution presents diverse flow characteristics. The self-assembly behavior of surfactant molecules is the important basis of surfactant practical applications, which therefore has been a research hot spot in this field. But the self-assembly process is significantly affected by solution conditions (mass concentration, temperature, flow intensity, etc.), and can barely be tested visually and quantitatively under the present experimental conditions. Herein, the self-assembly behaviors of rodlike micelles in CTAC/NaSal surfactant solutions were systematically studied under different mass concentrations, temperatures and shear rates, utilizing the mesoscale Brownian dynamics simulation. It was found that the solution conditions, namely, mass concentration, temperature and shear rate, showed dual influence on the self-assembly behaviors of CTAC rodlike micelles. That was, the appropriate solution condition promoted the self-assembly between CTAC rodlike micelles, but the excessively strong/weak solution condition suppressed the self-assembly.

Key words: CTAC/NaSal surfactant, molecular self-assembly, numerical simulation

CLC Number: 

  • TQ423