A Beer’s Law Problem Integrating Multiple Linear Regression and Simplex Optimization

Simultaneously obtaining specie concentrations in a mixture is conveniently determined spectroscopically from Beer’s law using multiple linear regressions. Unfortunately, numerical methods can produce answers that don’t make physical sense, i.e. negative concentrations. In this investigation, simplex optimization is employed, in conjunction with multiple linear regressions, to find alternative minimized answers that do not contain negative values. An Excel macro-containing workbook is supplied which contains coding for simplex optimization.