Monte Carlo Comparative Study of Model Detergent and Lipid Aggregation on a Lattice

Claudio S. Shida () and Vera B. Henriques ()
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Claudio S. Shida: Departamento de Física Geral, Instituto de Física, Universidade de São Paulo, São Paulo, SP, CP66318, 05315-970, Brazil
Vera B. Henriques: Departamento de Física Geral, Instituto de Física, Universidade de São Paulo, São Paulo, SP, CP66318, 05315-970, Brazil

International Journal of Modern Physics C (IJMPC), 1998, vol. 09, issue 06, 801-807

Abstract: We have studied the aggregation of model amphiphilic molecules on a square lattice through Monte Carlo simulations via Metropolis. Amphiphilic molecules are modeled with a hydrophilic head represented by a small set of "water-loving" sites whereas the hydrophobic double-tail is represented by a second set of oil-loving sites. We have compared aggregation properties of single-stail (detergents) and double-tail (phospholipids) amphiphiles with equivalent hydrophobicity ratios. Equilibrium quantities such as average particle energy, specific heat, free amphiphile density show similar behavior for both model systems. The transition region associated with aggregation occurs at high temperatures for phospholipids as compared to detergents.

Keywords: Monte Carlo; Lattice Model; Detergent; Phospholipids (search for similar items in EconPapers)
Date: 1998
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DOI: 10.1142/S0129183198000728

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