Comparison between regression analysis and moment analysis for transport and kinetic parameter estimation in TAP experiments under a non-ideal inlet condition

Regression analysis and moment analysis for estimation of transport and kinetic parameters in TAP experiments were compared using different types of responses, including exit flow rate curves and normalized responses. The experimental responses were obtained from simulation under a non-ideal inlet flow condition. The parameter estimation was performed using the ideal model. The quantities used in the comparison are the percentage differences between the estimated and the real parameters including the gas diffusivity and the first order irreversible reaction rate constant. These quantities also indicate the validity/invalidity of the ideal inlet condition. For typical domains in TAP experiments, the diffusivity percentage difference obtained from the regression and the moment analyses was found to be small. However, the percentage difference of the reaction rate constant can be large and depends on the estimation methods, the types of the response, and the gas conversion. Small percentage differences of the reaction rate constant are obtained from the estimation method that uses the conversion as a measured quantity. Besides, the percentage difference from this method does not depend on the conversion due to the same conversion expression in the ideal and the non-ideal cases.