Intelligence analysis of membrane distillation via machine learning models for pharmaceutical separation

Abstract

This study investigates simulation of pharmaceutical separation via membrane distillation process by computational simulation and machine learning modeling strategy. The efficacy of three regression models, i.e., Multi-layer Perceptron (MLP), Gamma Regression, and Support Vector Regression (SVR) in predicting the solute concentration, C(mol/m³), was evaluated. The hyper-parameters were optimized by fine-tuning the models using the Red Deer Algorithm (RDA). Computational analyses were carried out for removal of pharmaceuticals from solution by membrane distillation in continuous mode. Mass transfer and machine learning models were implemented focusing on concentration of solute in the feed section of membrane. Results indicate that the Multi-layer Perceptron model achieved great accuracy with an R 2 of 0.9955, an MAE of 0.0084, and an RMSE of 0.0148, effectively capturing complex nonlinear relationships in the data. Gamma Regression also performed acceptably, with fitting R 2 of 0.9214, showing its suitability for positively skewed data. The Support Vector Regression model, while capturing the general trend, showed the lowest performance with an R 2 of 0.8710. These findings suggest that the Multi-layer Perceptron is the most accurate model for this dataset, followed by Gamma Regression and Support Vector Regression. This underscores the importance of careful model selection and optimization in regression analysis in combination with computational simulation of membrane processes.