Liquid-Liquid Equilibria in Binary Systems:Monte-Carlo Simulations for Calculating the Effect of Nonrandom Mixing

Mixing Properties of Two-Dimensional Lattice Solutions of Amphiphiles

“…In addition, we also seek to compare how the mixing properties of amphiphiles differ from those for homopolymers (which have been studied extensively in the literature (3,6,12)) with the same chain length as that of the tails of the amphiphiles. As these properties need to be calculated within homogeneous phases, the results of the phase behavior presented in Section 4.1 are used to select the parameters of the system such that the polymer or amphiphile solution consists of only a single phase.…”

“…[6] and [7], respectively. The calculated values of the energy of mixing are presented in agreement would improve considerably (e.g., for ε r < ∼ 0.42, as one can anticipate from Fig.…”

“…In principle, the exact properties of a lattice polymer solution can be obtained using Monte Carlo (MC) simulations-a technique which has been very popular for studying the behavior of polymers in solution; see, for example, Lambert et al (6), who have examined the accuracy of lattice theories of polymer solutions to explore improved approximations.…”

Miscibilities in binary copolymer systems

“…Based on Monte-Carlo calculations for a cubic Ising lattice (a mixture of equalsized molecules A and B) [9], we obtained the following expression forr12:…”

Closed-packed lattice model for polymer solution systems considering the chain length dependence effect: Correlating LLE, VLE, and gel swelling behaviors using identical interaction energy parameters

“…Hino et al [10] developed a simple molecular thermodynamic model using the lattice-gas model of ten Brinke and Karasz [11]. They introduced specific interactions into the expression of the Helmholtz energy of mixing obtained by Lambert et al [12] by correlating Monte-Carlo simulation data.…”