Solvent based technologies are the closest to deployment capture technologies for the capture of carbon dioxide from coal-fired power plant exhaust. Recent advancements in 2nd generation solvents may provide significant cost reduction and/or breakthroughs to enable large-scale deployment at a reasonable cost, but these advancements may be limited. As such, new solvent chemistries are needed to continue the march towards cost-effective CO2 capture. Here new solvents require enhancements in performance, reduced energy penalties while addressing the engineering challenges of 1st and or 2nd generation amine solvents. High-fidelity modeling and improved molecular-level understanding have led the development of tools and methodologies to the design and development of new tailor-made solvent systems. Use of these tools can expedite solvent development by accurate quantification of performance prior to bench/pilot-scale testing. We present here an approach that integrates molecular modeling, organic chemistry and state of the art experimental systems for a rapid yet comprehensive study of solvent performance. This approach is used to remedy any limiting thermodynamic or physical property by exerting molecular-level control through directed atomistic placement of chemical functionalities while retaining desirable properties. We present here a unique integrated research approach that combines the fields of molecular design, synthesis, and process engineering to enhance performance and viability of a new water-lean CO2 capture solvent for CO2 capture from post-combustion gas streams.

From electrons to economics: Designing an efficient water-lean CO2 capture solvent system from atoms to ASPEN Plus

255th National Meeting (2018)

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