I have carefully read the "basic paper", and I understand almost all aspects of kinetic, thermodynamic, heat and mass transfer involved. Also tonight I'll read a little more the paper and will make you a detailed proposal. You want to reproduce the results of "basic paper"? if so, I could try to program all the equations involved in the article. I can elaborate code in matlab with the following approximate format:
Module 1: kinetic and equilibrium constants (15 $)
Module 2: L-H rate expressions (36 $)
Module 3: thermodynamic equations (solubility, Henry's law constants,...) (21 $)
Module 4: mass transfer ( diffusivity, mass transfer coefficients, catalyst effectiveness factor,...) (37 $)
Module 5: heat transfer (heat transfer coeff.) (23 $)
Module 6: mass and energy balance (all integrals appear there with cell "j" and cell "j-1". (64 $)
Module 7: iterative procedure to solve the non-linear coupled equations. (73 $)
Module 8: equations to present the results (production, selectivity among others) (18 $)
Module 9: pressure drop calulation (34 $)
Module 10: develop a function to save the results by each cell, and plot the results. (33 $)
Module 11: database of thermodynamic and transport properties in Excel (there are some physical properties that do not appear in the article and should be investigated such as viscosity and thermal conductivity, specific heat, among others as a function of T) (36 $)
Module 12: a main script, so that you can easily modify the inputs (9 $)