Planning experiments regression analysis

Response Surface Methodology (RSM) is a statistical method which uses quantitative data from appropriately designed experiments to determine and simultaneously solve multi-variate equations (3). In this technique regression analysis is performed on the data to provide an equation or mathematical model. Mathematical models are empirically derived equations which best express the changes in measured response to the planned systematic... 

On a practical level, the heuristic approach includes first collecting all the possible data during the experiments as a function of the parameters which are deemed to be important, i.e. concentrations, temperature, pressures, pH, catalyst concentration, volume, etc. Then the rate constants are estimated by regression analysis and the adequacy of the model is judged based on some criteria (like residual sums and parameter significance, which will be discussed further). If a researcher is not satisfied, then additional experiments are performed, followed by parameter estimation and sometimes simulations outside the studied parameter domain. The latter procedure provides the possibility to test the predictive power of a kinetic model. The kinetic model is then gradually improved and the experimental plan is modified, if needed. This process continues until the researcher is satisfied with the kinetic model. 

It must be noted that if the experiments are carefully planned, relatively simple data analysis techniques (variance analysis, linear regression, etc.) can be used Conversely, if the experiments arc not carefully planned, it is often necessary to use much more complex mathematical and statistical tools (factorial analyses. clas.siflcations. etc.) without even being sure of the results. 

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