Adsorption isotherm modelling of water on nano-tailored mesoporous silica based on distribution function

Abstract

A new model of adsorption isotherms Type IV and V is proposed as a basis for theoretical calculations and modelling of adsorption systems such as adsorption heat storage and heat pumps. As the current models have decent yet limited applicability, in this work, we present a new combined model with universal use for micro-mesoporous silica/water adsorption systems. Experimental measurement of adsorption isotherm of water onto seven different samples of micro and mesoporous silica and aluminium-silica were used to fit new adsorption models based on a combination of classical theories and a distribution function related to the pore-size distribution of the selected materials. The fitting was conducted through a repeated non-linear regression using Trust Region Reflective algorithm with weighting factors to compensate for the scalability of the adsorption amount at low relative pressure with optimization of the absolute average deviation fitting parameter. The results display a significant improvement for most of the samples and fitting indicators compared to more common models from the literature with average absolute deviation as low as AAD = 0.0025 g g−1 for material with maximum uptake of q = 0.38 g g−1. The newly suggested model, which is based on a combination of BET theory and adjusted normal distribution function, proved to bring a higher degree of precision and universality for mesoporous silica materials with different levels of hydrophilicity.