Modelling the Mass Transfer Kinetics of the Grafting of 4-Chloromethylstyrene onto Polyethylene Substrate

Abstract

The behaviours and performances of an ideal grafting of 4-chloromethylstyrene onto polyethylene substrates were predicted/discussed using designed models. (MATLAB) (matrix laboratory) amulti-paradigm numerical computing environment and fourth-generation programming language. was used as the model simulator due to its very broad and all-encompassing functions and capabilities. The models designed were compared and contrasted with one another and also with the experimental data for validation. Inferences were drawn on the basis of the findings and within the confines of the simplifying assumptions made. Conventional adsorption models developed and tested include Lagergren pseudo first-order model, Langmuir–Hinshelwood models, intra-particle diffusion model and pseudo second-order diffusion model. The validity of these models was tested on the basis of the R2 of linearised plots of the models. R2> 0.9 was the criterion for validity. The Lagergren pseudo first-order model had the highest R2 values of 0.9034, 0.9400, 0.9798 and 0.9884 for the polyethylene samples at a reaction temperature of 60°C. The Langmuir–Hinshelwood model was also satisfactory as it gave R2 values of 0.9282 at a temperature of 60°C The valid models were applied for process conditions other than those experimented upon and were found to give valid and reasonable results.