A simple lattice Monte Carlo simulation to model interfacial and crowded water rearrangements

2020 ◽  
Vol 531 ◽  
pp. 110653
Author(s):  
Ved Prakash Roy ◽  
Kevin J. Kubarych
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Lattice Monte Carlo ◽  
Simple Lattice

scholarly journals Quantitative Evaluation of Copper Clustering Process by Lattice Monte Carlo Simulation.

2003 ◽  
Vol 69 (679) ◽  
pp. 538-544 ◽  
Author(s):  
Tadao FUKUTA ◽  
Yasuhiro AKAHOSHI ◽  
Yoshihito KUROSHIMA ◽  
Shoji HARADA
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Quantitative Evaluation ◽  
Lattice Monte Carlo

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.

Investigation of the mixing behavior of surfactants by lattice Monte Carlo simulation

2010 ◽  
Vol 16 (9) ◽  
pp. 1499-1508 ◽  
Author(s):  
Niaz Poorgholami-Bejarpasi ◽  
Majid Hashemianzadeh ◽  
S. Morteza Mousavi-Khoshdel ◽  
Beheshteh Sohrabi
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Lattice Monte Carlo ◽  
Mixing Behavior
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