title: Mesoscale description of an asymmetric lamellar phase.
abstract: The relationship between the parameters in a description based on a mesoscale free energy functional for the concentration field and the macroscopic properties, such as the bending and compression moduli and the permeation constant, are examined for an asymmetric lamellar phase where the mass fractions of the hydrophobic and hydrophilic parts are not equal. The difference in the mass fractions is incorporated using a cubic term in the free energy functional, in addition to the usual quadratic and quartic terms in the Landau-Ginsburg formulation. The relationship between the coefficient of the cubic term and the difference in the mass fractions of the hydrophilic and hydrophobic parts is obtained. For a lamellar phase, it is important to ensure that the surface tension is zero due to symmetry considerations. The relationship between the parameters in the free energy functional for zero surface tension is derived. When the interface between the hydrophilic and hydrophobic parts is diffuse, it is found that the bending and compression moduli, scaled by the parameters in the free energy functional, do increase as the asymmetry in the bilayer increases. When the interface between the hydrophilic and hydrophobic parts is sharp, the scaled bending and compression moduli show no dependence on the asymmetry in the bilayer. The ratio of the permeation constant in between the water and bilayer in a molecular description and the Onsager coefficient in the mesoscale description is O(1) for both sharp and diffuse interfaces and it increases as the difference in the mass fractions is increased.
authors.affiliation: Department of Chemical Engineering, Indian Institute of Science, Bangalore 560 012, India. kumaran@chemeng.iisc.ernet.in
authors.forename: V
authors.initials: V
authors.lastname: Kumaran
mesh_terms: D003198:Computer Simulation; D008051:Lipid Bilayers / Q000737:chemistry; D008956:Models, Chemical; D013500:Surface Tension; D013816:Thermodynamics
chemical_list: D008051:Lipid Bilayers