Monte Carlo C++ Code for Modelling the Phase Interface in a 1-octanol/water/solute Solution Used to Find a Partition Coefficient

Abstract

Typically a partition coefficient is measured using a 1-octanol/water solution. Unfortunately a microemulsion forms at the interface between the two liquids. This emulsion adds to the partition coefficient's error since the solute is in neither phase. A C++ code is given here to model this phase interface. The details of generating the graphics for the microemulsion are published here for the first time. Only free software is relied on so access should not be a problem.