On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions

• DOI: 10.1039/c6fd00041j
• Publication Date: 2016-04-15T12:00:16Z
• Authors: Charles V. Brand; Edward Graham; Javier Rodríguez; Amparo Galindo; George Jackson; Claire S. Adjiman
• Keywords: 13. Climate action; 02 engineering and technology; 0210 nano-technology; 7. Clean energy

Predictive models play an important role in the design of post-combustion processes for capture carbon dioxide (CO2) emitted from power plants. A rate-based absorber model is presented to investigate reactive CO2 using aqueous monoethanolamine (MEA) as a solvent, integrating predictive molecular-based equation state: SAFT-VR SW (Statistical Associating Fluid Theory-Variable Range, Square Well). distinctive physical approach adopted chemical equilibria inherent process. This eliminates need consider reaction products explicitly and greatly reduces amount experimental data required compared more commonly employed approaches. The capabilities are analyzed profiles 10 pilot plant runs by considering two scenarios: (i) no pilot-plant used development; (ii) only limited set used. Within first scenario, mass fraction clean gas underestimated all but one cases, indicating that best-case performance solvent can be obtained with this approach. second scenario single parameter estimated based on run correct dramatic changes diffusivity solvent. found transferable broad range operating conditions. sensitivity analysis then conducted, liquid viscosity key properties prediction composition profiles. temperature sensitive thermodynamic correspond major sources heat generation or dissipation. proposed modelling framework early assessment solvents aid narrowing search space, help determining target experiments detailed modelling.