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Interfacial Interaction Enhanced Rheological Behavior in PAM/CTAC/Salt Aqueous Solution-A Coarse-Grained Molecular
Dongjie Liu1,2, Yong Li3, Fei Liu2
1School of Chemical Engineering and Technology, Xi'an Jiaotong University, Xi'an 710049, China.
Polymers
|January 30, 2020
Summary
This study uses nonequilibrium molecular dynamics (NEMD) simulations to explore polymer/surfactant solutions. Findings reveal how micelle phase transitions impact solution viscosity, advancing chemical engineering insights.
Area of Science:
- Chemical Engineering
- Materials Science
- Physical Chemistry
Background:
- Interfacial interactions in multi-phase polymer solutions are crucial for chemical engineering processes.
- Understanding these interactions is challenging due to system complexity.
- Existing knowledge on polymer/surfactant mixtures at a molecular level is limited.
Purpose of the Study:
- To investigate molecular interactions and rheology in a cetyltrimethyl ammonium chloride (CTAC)/polyacrylamide (PAM)/sodium salicylate (NaSal) solution.
- To analyze macroscopic rheological characteristics and shear viscosity using computational methods.
- To elucidate the relationship between micelle behavior and solution viscosity.
Main Methods:
- Employed nonequilibrium molecular dynamics (NEMD) simulations, an efficient analytical technique.
- Investigated rheological properties including shear viscosity.
- Validated computational results against experimental data.
Main Results:
- NEMD simulations successfully replicated experimental rheological data for the polymer/surfactant solution.
- Observed a power-law relationship between characteristic time and shear rate.
- Discovered that micelle phase transitions cause a non-monotonic increase in solution viscosity with CTAC or PAM concentration.
Conclusions:
- The study provides molecular-level insights into chemical-physical interactions within polymer/surfactant mixtures.
- NEMD simulations offer an optimized approach to study complex fluid systems.
- Findings enable potential advancements in chemical engineering solutions for multi-phase systems.
