Monte Carlo simulation of miscibility of polymer blends with repulsive interactions: effect of chain structure

2003 ◽  
Vol 39 (3) ◽  
pp. 551-560 ◽  
Author(s):  
Tongfei Shi ◽  
Gangyao Wen ◽  
Wei Jiang ◽  
Lijia An ◽  
Binyao Li
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Blends ◽  
Chain Structure ◽  
Repulsive Interactions

scholarly journals On the Difference between Self-Assembling Process of Monomeric and Dimeric Surfactants with the Same Head to Tail Ratio: A Lattice Monte Carlo Simulation

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
Reza Behjatmanesh-Ardakani ◽  
Maryam Farsad
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Gemini Surfactants ◽  
Chain Structure ◽  
Single Chain ◽  
Lattice Monte Carlo ◽  
Self Assembling ◽  
Spacer Group ◽  
The Difference ◽  
Dimeric Surfactants

Experimental data show that gemini surfactants have critical micelle concentrations that are almost tenfold lower than the CMCs of single chain ones. It is believed that the spacer groups play an important role in this subject. Short hydrophilic or long hydrophobic spacers can reduce CMC dramatically. In this paper, self-assembling processes of double-chain and one-chain surfactants with the same head to tail ratio are compared. Dimeric chain structure is exactly double of single chain. In other words, hydrophilic-lyophilic balances of two chain models are the same. Two single chains are connected head-to-head to form a dimeric chain, without introducing extra head or tail beads as a spacer group. Premicellar, micellar, and shape/phase transition ranges of both models are investigated. To do this, lattice Monte Carlo simulation in canonical ensemble has been used. Results show that without introducing extra beads as spacer group, the CMC of (H3T3)2as a dimeric surfactant is much lower than the CMC of its similar single chain, H3T3. For dimeric case of study, it is shown that bolaform aggregates are formed.

Interfacial Behavior of Compressible Polymer Blends. Monte Carlo Simulation and the Lattice Fluid Theory

1996 ◽  
Vol 29 (4) ◽  
pp. 1252-1259 ◽  
Author(s):  
G. J. A. Ypma ◽  
P. Cifra ◽  
E. Nies ◽  
A. R. D. van Bergen
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Blends ◽  
Interfacial Behavior ◽  
Lattice Fluid ◽  
Fluid Theory

Monte Carlo Simulation of Phase Behavior of Polymer Blends with Special Interactions

2001 ◽  
Vol 10 (8) ◽  
pp. 750-755 ◽  
Author(s):  
Wei Jiang ◽  
Tongfei Shi ◽  
Shichun Jiang ◽  
Lijia An ◽  
Donghang Yan ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Blends ◽  
Phase Behavior
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