A computational model of coupled heat and moisture transfer with phase change in granular sugar during varying environmental conditions

As part of a comprehensive effort to predict the development of caking in granular materials, a mathematical model is introduced to model simultaneous heat and moisture transfer with phase change in porous media when undergoing temperature oscillations/cycling. The resulting model partial differential equations were solved using finite-volume procedures in the context of the PHYSICA framework and then applied to the analysis of sugar in storage. The influence of temperature on absorption/desorption and diffusion coefficients is coupled into the transport equations. The temperature profile, the depth of penetration of the temperature oscillation into the bulk solid, and the solids moisture content distribution were first calculated, and these proved to be in good agreement with experimental data. Then, the influence of temperature oscillation on absolute humidity, moisture concentration, and moisture migration for different parameters and boundary conditions was examined. As expected, the results show that moisture near boundary regions responds faster than farther away from them with surface temperature changes. The moisture absorption and desorption in materials occurs mainly near boundary regions (where interactions with the environment are more pronounced). Small amounts of solids moisture content, driven by both temperature and vapour concentration gradients, migrate between boundary and center with oscillating temperature.

Determination of micelle/water partition coefficients and associated thermodynamic data for dialkyl phthalate esters

Micelle/water partition coefficients for three dialkyl phthalate esters - dimethyl phthalate ester (DMP), diethyl phthalate ester (DEP) and dipropyl phthalate ester (DPP) were obtained by micellar liquid chromatography (MLC). Experiments were conducted over a temperature range which led to calculation of a Gibbs free energy, enthalpy and entropy of transfer for the phthalate esters. In addition, small angle neutron scattering (SANS) experiments were conducted with no substantial change observed in micelle size before and after phthalate ester incorporation. Overall, a novel method for obtaining thermodynamic information, based on partitioning data, has been developed for dialkyl phthalate esters using micellar liquid chromatography.