Adsolab: Platform for modeling and validating equilibrium in pollutant adsorption processes

Abstract

Adsorption process occurs when some of the components of a mixture in liquid or gas phase are transported to the surface of a solid (porous or non-porous) and attracted by chemical bonds or physical interactions at certain suitable sites. Adsorption isotherm describes the equilibrium behavior of adsorbents at constant temperature, and depends on adsorbed species, adsorbate, adsorbent, and various physical properties of the solution, such as pH, ionic strength, and temperature. Empirical results are usually represented by different mathematical models of adsorption isotherms, where the quality of the fit must be evaluated. Convenient methods for resolving nonlinearized isotherms must be developed, and a more efficient method for comparing models must be proposed. The task includes the selection of parameters that initialize the fitting process, which requires the development of robust and easy-to-use calculation, graphical representation, and results presentation platforms. This paper reviews the development work on the design and implementation of a model comparison system using statistical estimators and thermodynamic concepts that consider the nature of the adsorbent material and the characteristics of the adsorbate being studied, enabling intelligent user interaction. Artificial intelligence tools are being applied for modeling, result comparison, and presentation, generating an appropriate interface for its use.