Interfacial Interaction Enhanced Rheological Behavior in PAM/CTAC/Salt Aqueous Solution—A Coarse-Grained Molecular Dynamics Study

Liu, Dongjie, Li, Yong, Liu, Fei, Zhou, Wenjing, Sun, Ansu, Liu, Xiaoteng, Chen, Fei, Xu, Bin and Wei, Jinjia (2020) Interfacial Interaction Enhanced Rheological Behavior in PAM/CTAC/Salt Aqueous Solution—A Coarse-Grained Molecular Dynamics Study. Polymers, 12 (2). p. 265. ISSN 2073-4360

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Official URL: https://doi.org/10.3390/polym12020265

Abstract

Interfacial interactions within a multi-phase polymer solution play critical roles in processing control and mass transportation in chemical engineering. However, the understandings of these roles remain unexplored due to the complexity of the system. In this study, we used an efficient analytical method—a nonequilibrium molecular dynamics (NEMD) simulation—to unveil the molecular interactions and rheology of a multiphase solution containing cetyltrimethyl ammonium chloride (CTAC), polyacrylamide (PAM), and sodium salicylate (NaSal). The associated macroscopic rheological characteristics and shear viscosity of the polymer/surfactant solution were investigated, where the computational results agreed well with the experimental data. The relation between the characteristic time and shear rate was consistent with the power law. By simulating the shear viscosity of the polymer/surfactant solution, we found that the phase transition of micelles within the mixture led to a non-monotonic increase in the viscosity of the mixed solution with the increase in concentration of CTAC or PAM. We expect this optimized molecular dynamic approach to advance the current understanding on chemical–physical interactions within polymer/surfactant mixtures at the molecular level and enable emerging engineering solutions.

Item Type: Article
Uncontrolled Keywords: rheology; shear viscosity; shear rates; molecular dynamic
Subjects: H300 Mechanical Engineering
H700 Production and Manufacturing Engineering
J400 Polymers and Textiles
Department: Faculties > Engineering and Environment > Mechanical and Construction Engineering
Depositing User: Elena Carlaw
Date Deposited: 29 Jan 2020 10:39
Last Modified: 29 Jan 2020 10:45
URI: http://nrl.northumbria.ac.uk/id/eprint/41984

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