CO2 Reactive Absorption

CO2 solubility is governed by the following reactions in the solution phase:

2RNH2 + CO2  =

RNH3+ + CO2  =

RNHCOO- + H2O  =

RNH2 + H2O  =

RNH3+ + RNHCOO-

H3O+ + RNH2

RNH2 + HCO3-

RNH3+ + OH-

(R1)

(R2)

(R3)

(R4)

For a given solvent composition, the CO2 solubility is obtained by solving the reaction equilibrium equations arising from chemical thermodynamics.  We predict the required quantities involved in these equations using molecular simulation algorithms implemented on high-speed computers, and then solve the equations.  In this way, a large number of solvents can be evaluated without the need for experiments.