In the TOUGHREACT user's manual,it says prior to simulating reactive transport, batch geochemical modelling of water-rock interaction must be performed to get the initial water concentrations need in the reactive transport simulation.But why must we do that? Can't we directly use water concentrations materials that have studied by many researchers? If we must do so,how to do that using a 1 M (mol/kg H2O) solution of sodium chloride by TOUGHREACT?
I do not quite understand what the CGUESS and CTOT mean? In user's manual,CTOT:total dissolved component concentration. CGUESS:initial guess for the concentration of the primary species,but I do understand the difference between them. please tell me what they stand for and their difference?
Thanks taking time in reading this and look forward for your reply soon.