9 research outputs found
Simulations of a lattice model of two-headed linear amphiphiles: influence of amphiphile asymmetry
Using a 2D lattice model, we conduct Monte Carlo simulations of micellar
aggregation of linear-chain amphiphiles having two solvophilic head groups. In
the context of this simple model, we quantify how the amphiphile architecture
influences the critical micelle concentration (CMC), with a particular focus on
the role of the asymmetry of the amphiphile structure. Accordingly, we study
all possible arrangements of the head groups along amphiphile chains of fixed
length and 16 molecular units. This set of idealized amphiphile
architectures approximates many cases of symmetric and asymmetric gemini
surfactants, double-headed surfactants and boloform surfactants. Consistent
with earlier results, we find that the number of spacer units separating
the heads has a significant influence on the CMC, with the CMC increasing with
for . In comparison, the influence of the asymmetry of the chain
architecture on the CMC is much weaker, as is also found experimentally.Comment: 30 pages, 17 fgure
Simulations of a lattice model of two-headed linear amphiphiles: influence of amphiphile asymmetry
Using a 2D lattice model, we conduct Monte Carlo simulations of micellar
aggregation of linear-chain amphiphiles having two solvophilic head groups. In
the context of this simple model, we quantify how the amphiphile architecture
influences the critical micelle concentration (CMC), with a particular focus on
the role of the asymmetry of the amphiphile structure. Accordingly, we study
all possible arrangements of the head groups along amphiphile chains of fixed
length and 16 molecular units. This set of idealized amphiphile
architectures approximates many cases of symmetric and asymmetric gemini
surfactants, double-headed surfactants and boloform surfactants. Consistent
with earlier results, we find that the number of spacer units separating
the heads has a significant influence on the CMC, with the CMC increasing with
for . In comparison, the influence of the asymmetry of the chain
architecture on the CMC is much weaker, as is also found experimentally.Comment: 30 pages, 17 fgure
Micelle Formation, Relaxation Time, and Three-Phase Coexistence in a Microemulsion Model
Our Larsonâtype microemulsion model for surfactant chains in oilâwater solvents leads to long relaxation times as well as, for essential modifications, to a stable peak in the chainâcluster size distribution. Transfer energies for surfactant chains moving to the oilâwater interface, and characteristicmicelle concentrations (CMC) as a function of chain length are compared with experiment