Phase Behavior of Amphiphilic Molecules in the Presence of One Solvent: A Dissipative Particle Dynamics Study

2007 ◽  
Vol 16 (1) ◽  
pp. 77-85 ◽  
Author(s):  
Ching-I Huang ◽  
Hsiao-Yang Hsueh ◽  
Yi-Kang Lan ◽  
Yu-Chih Lin
Keyword(s):  
Phase Behavior ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Amphiphilic Molecules

scholarly journals Dissipative Particle Dynamics Simulation of Phase Behavior in Bolaamphiphilic Solution

2011 ◽  
Vol 6 ◽  
pp. 2401116-2401116 ◽  
Author(s):  
Ryōen SHIRASAKI ◽  
Yuta YOSHIKAI ◽  
Hu-jun QIAN ◽  
Susumu FUJIWARA ◽  
Yuichi TAMURA ◽  
...  
Keyword(s):  
Phase Behavior ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Dissipative Particle Dynamics Simulation

Dissipative Particle Dynamics Simulation of Phase Behavior of Aerosol OT/Water System

2006 ◽  
Vol 110 (43) ◽  
pp. 21735-21740 ◽  
Author(s):  
Chunjie Yang ◽  
Xiao Chen ◽  
Huayu Qiu ◽  
Wenchang Zhuang ◽  
Yongcun Chai ◽  
...  
Keyword(s):  
Phase Behavior ◽  
Dissipative Particle Dynamics ◽  
Water System ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Aerosol Ot ◽  
Dissipative Particle Dynamics Simulation

Phase Behavior of Ternary Mixtures of Water–Vanillin–Ethanol for Vanillin Extraction via Dissipative Particle Dynamics

2014 ◽  
Vol 59 (10) ◽  
pp. 3036-3040 ◽  
Author(s):  
Ga Eun Son ◽  
Nyambayar Sugartseren ◽  
Won-Byong Yoon ◽  
Sang Kyu Kwak
Keyword(s):  
Phase Behavior ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Ternary Mixtures

scholarly journals Mesoscale Morphologies of Nafion-Based Blend Membranes by Dissipative Particle Dynamics

Processes ◽  
2021 ◽  
Vol 9 (6) ◽  
pp. 984
Author(s):  
Unal Sen ◽  
Mehmet Ozdemir ◽  
Mustafa Erkartal ◽  
Alaattin Metin Kaya ◽  
Abdullah A. Manda ◽  
...  
Keyword(s):  
Phase Behavior ◽  
Phosphonic Acid ◽  
Polymer Electrolyte Membrane ◽  
Dissipative Particle Dynamics ◽  
Cost Effective ◽  
Particle Dynamics ◽  
Continuous Phase ◽  
Repulsive Interaction ◽  
Blend Membrane ◽  
Blend Membranes

Polymer electrolyte membrane (PEM) composed of polymer or polymer blend is a vital element in PEM fuel cell that allows proton transport and serves as a barrier between fuel and oxygen. Understanding the microscopic phase behavior in polymer blends is very crucial to design alternative cost-effective proton-conducting materials. In this study, the mesoscale morphologies of Nafion/poly(1-vinyl-1,2,4-triazole) (Nafion-PVTri) and Nafion/poly(vinyl phosphonic acid) (Nafion-PVPA) blend membranes were studied by dissipative particle dynamics (DPD) simulation technique. Simulation results indicate that both blend membranes can form a phase-separated microstructure due to the different hydrophobic and hydrophilic character of different polymer chains and different segments in the same polymer chain. There is a strong, attractive interaction between the phosphonic acid and sulfonic acid groups and a very strong repulsive interaction between the fluorinated and phosphonic acid groups in the Nafion-PVPA blend membrane. By increasing the PVPA content in the blend membrane, the PVPA clusters’ size gradually increases and forms a continuous phase. On the other hand, repulsive interaction between fluorinated and triazole units in the Nafion-PVTri blend is not very strong compared to the Nafion-PVPA blend, which results in different phase behavior in Nafion-PVTri blend membrane. This relatively lower repulsive interaction causes Nafion-PVTri blend membrane to have non-continuous phases regardless of the composition.

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