Rheological model for micelles in solution from molecular dynamics

被引：12

作者：

Castrejon-Gonzalez, E. O. ^{[1
]}

Marquez Banos, V. E. ^{[1
]}

Javier Alvarado, J. F. ^{[1
]}

Rico-Ramirez, V. ^{[1
]}

Castillo-Tejas, J. ^{[2
]}

Jimenez-Islas, H. ^{[3
]}

机构：

[1] Inst Tecnol Celaya, Dept Ingn Quim, Celaya Gto 38010, Mexico

[2] Univ Autonoma Tlaxcala, Fac Ciencias Basicas Ingn & Tecnol, Apizaco Tlax 90300, Mexico

[3] Inst Tecnol Celaya, Dept Ingn Bioquim, Celaya Gto 38010, Mexico

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2014年 / 198卷

关键词：

Rheology; Micelles; Structure factor; Molecular dynamics; Shear flow; WORMLIKE MICELLES; SHEAR-FLOW; SIMULATIONS; BEHAVIOR; DILUTE; MICROSTRUCTURE; SUSPENSIONS; POLYMERS;

D O I：

10.1016/j.molliq.2014.07.016

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Non-equilibrium molecular dynamics was performed to determine the rheological behavior of micelles in solution. Different concentrations of surfactants molecules immersed into two types of solvents were studied. Three regions in the flow curve were,obtained: i) A first Newtonian plateau, ii) a second shear-thinning region and iii) a third shear-thickening region. Data from flow curve were well fitted to a proposed model based on the Carreau-Yasuda equation. Molecular snapshots and static structure factor were determined to complement the structure information. Results are in qualitative agreement with experimental data. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：84 / 93

页数：10

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