Lattice model calculations on aqueous acetone and tetramethyl urea

TL;DR

This paper uses lattice Monte Carlo simulations within the Ising model framework to analyze self-organization and phase transformations in aqueous acetone and tetramethyl urea, confirming previous mixing schemes and identifying transition points.

Contribution

It introduces lattice model calculations to study lyotropic phase transformations in AC and TMU, providing quantitative molar fractions at phase transitions.

Findings

Confirmed tree content dependent mixing schemes

Identified molar fractions at mesophase transitions

Compared results with alternative water structure models

Abstract

In frames of the Ising model, we analyze self-organization of aqueous acetone (AC) and tetramethyl urea (TMU), caused by lyotropic phase transformations. Using the lattice Monte Carlo simulations, we confirmed the statements by Koga and co-workers on the tree content dependent mixing schemes in AC and TMU and found the values of molar fractions of surfactants, corresponding to the transitions between the mesophases of these mixing schemes. So we may compare these results with another concepts on the water structures.