Critical micelle concentration from a lattice gas model

Wenzel, Wolfgang; Ebner, C.; Jayaprakash, C.; Pandit, Rahul

doi:10.1088/0953-8984/1/26/018

Cited by 6 publications

(3 citation statements)

References 11 publications

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“…This liquid-like property shows up as peaks in the structure factor for large k-values. 7 We are grateful to a referee for pointing out the work by Wenzel et al [28] where it has been demonstrated that a model for amphiphiles with Ising-like site and bond variables exhibits a critical micelle concentration (CMC) and a closed-loop coexistence curve as seen in experiments [7]. The amphiphiles in this model do not have a structure.…”

Section: Discussionmentioning

confidence: 76%

Self-assembly of ionic surfactants and formation of mesostructures

Bhattacharya

Mahanti

2001

J. Phys.: Condens. Matter

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Self-assembly of ionic surfactants resulting in micelle formation is studied using off-lattice Monte Carlo simulation in two dimensions (2D). We find that in addition to the Lennard-Jones (LJ) interaction, which acts among all of the particles, a screened Coulomb interaction, acting only among the surfactant heads, makes the geometric arrangement of micelles very different compared to that for neutral surfactants at the same density. At low concentrations, ionic surfactants produce spherical micelles and exhibit intermicellar ordering arising out of the longer-range repulsion of the surfactant head groups. For larger concentrations, they tend to form bi-layers. Motivated by recent experiments on preparation of mesoporous sieves through surfactant-templating routes, we then extend these studies to micellization of ionic surfactants in the presence of other neutral host particles. The morphologies of the surfactant-host composites are studied as functions of host particle densities, sizes, and their interaction strengths. Assuming the presence of micelles as quenched disorder, we obtain a qualitative understanding of the local ordering of the host particles in terms of a dimensionless density parameter from the known liquid-vapour phase diagram in 2D of a LJ fluid.

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Section: Discussionmentioning

confidence: 76%

Self-assembly of ionic surfactants and formation of mesostructures

Bhattacharya

Mahanti

2001

J. Phys.: Condens. Matter

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“…One means of probing the nature of the phase diagram and the effective hydrophobic interactions would be by systematic alteration of the polarity of the amphiphilic polymers in solution. Many theoretical and experimental studies have been conducted to describe the various aggregation phases of amphiphilic molecules in aqueous solutions [3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18]. However, no comprehensive investigations have yet been performed concerning the influence of the distribution of polar groups in amphiphiles on the aggregation phase diagram, or concerning the mechanism underlying the process of self-aggregation.…”

Section: Introductionmentioning

confidence: 99%

“…For lipid molecules, the CMC decreases as the length of the hydrophobic chain increases [6,7,8,9], indicating a stabilization of aggregates as a consequence of the stronger net repulsion between the tail and the surrounding water. For the same reason, the LCST is thought to decrease as the tail grows, as suggested in Ref.…”

Section: Introductionmentioning

confidence: 99%

Solvent-induced micelle formation in a hydrophobic interaction model

2004

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We investigate the aggregation of amphiphilic molecules by adapting the two-state Muller-LeeGraziano model for water, in which a solvent-induced hydrophobic interaction is included implicitly. We study the formation of various types of micelle as a function of the distribution of hydrophobic regions at the molecular surface. Successive substitution of non-polar surfaces by polar ones demonstrates the influence of hydrophobicity on the upper and lower critical solution temperatures. Aggregates of lipid molecules, described by a refinement of the model in which a hydrophobic tail of variable length interacts with different numbers of water molecules, are stabilized as the length of the tail increases. We demonstrate that the essential features of micelle formation are primarily solvent-induced, and are explained within a model which focuses only on the alteration of water structure in the vicinity of the hydrophobic surface regions of amphiphiles in solution.

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Simulations of self-assembling systems

Rajagopalan

2001

Current Opinion in Colloid & Interface Science

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Critical micelle concentration from a lattice gas model

Cited by 6 publications

References 11 publications

Self-assembly of ionic surfactants and formation of mesostructures

Self-assembly of ionic surfactants and formation of mesostructures

Solvent-induced micelle formation in a hydrophobic interaction model

Simulations of self-assembling systems

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