Updating 8 m 2MPZ and Independence Models, Quarterly Report for January 1 – March 31, 2013

In addition to the continued work on the 2MPZ kinetic model, a new effort to expand the PZ model to include ions was begun this quarter. The 2MPZ kinetic model can match the experimental flux at low temperature, but due to improper centering of reaction constants the error builds moving away from 40 °C. In order to hasten calculations, the boundary layer was rediscretized to use fewer points without sacrificing accuracy. The number of points was reduced from fifty to thirty-two, which is only five more than that used for PZ. The expansion of the PZ model, dubbed the Ionic Model, involves no regression. The following ions were added from the Aspen Plus® databank: K+, Na+, - 3 NO , 2- 4 SO , - 2 HCO , and - 3 2 CH CO . Their binary interaction parameters were set to default values, and then the solvent was simulated with greater ionic strength (salt effect) and additional alkalinity (alkalinity effect). It was found that practically speaking, both effects reduced the baseline capacity by  20% from0.8 mol CO2/kg CO2 free solvent. Future work will be to finish the 2MPZ kinetic model and begin viscosity sensitivity studies using a heat exchanger model.