Design of optimal solvents for CO 2 chemical absorption: the effect of simultaneous evaluation of molecules and process performance Ye Seol Lauren Lee, Amparo Galindo, George Jackson and Claire S. Adjiman Imperial College London, United Kingdom The search for new solvents for carbon dioxide (CO 2 ) chemical absorption is imperative to achieve high energy efficiency and economic and environmental performance [1]. However, identifying the most promising solvent candidates remains challenging as it is necessary to explore a vast chemical space that entails mixed-integer decisions and capture a highly nonlinear interplay between the molecular properties and process performance [2]. In this study, a robust computer-aided molecular and process design (CAMPD) framework that enables the simultaneous design of optimal aqueous amine solvents and CO 2 chemical absorption-desorption processes is presented. New feasibility tests [3,4] integrated with an outer-approximation algorithm [5] are proposed to provide a reliable way to remove infeasible molecules and process conditions before solving the full process optimization problem. The efficiency of the proposed CAMPD algorithm is demonstrated by the successful completion of 150 optimization runs. The comparative study in which the relative performance of the optimal solvents obtained by applying two conventional CAMPD approaches shows that the proposed CAMPD approach leads to more promising solvents. References 1. Bui, M., Adjiman, C. S., Bardow, A., Anthony, E. J., Boston, A., Brown, S., Fennell, P. S., Fuss, S., Galindo, A., Hackett, L. A., et al., 2018. Carbon capture and storage (CCS): the way forward. Energy & Environmental Science, 11(5), 1062–1176. 2. Adjiman, C.S., Galindo, A. and Jackson, G., 2014. Molecules matter: the expanding envelope of process design. In Computer Aided Chemical Engineering (Vol. 34, pp. 55-64). Elsevier. 3. Gopinath, S., Jackson, G., Galindo, A., Adjiman, C.S., 2016. Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design. AIChE Journal 62, 3484–3504 4. Lee, Y.S., Galindo, A., Jackson, G. and Adjiman, C.S., 2023. Enabling the direct solution of challenging computer-aided molecular and process design problems: Chemical absorption of carbon dioxide. Computers & Chemical Engineering, p.108204 5. Fletcher, R. and Leyffer, S., 1994. Solving mixed integer nonlinear programs by outer approximation. Mathematical programming, 66(1-3), pp.327-349.
IP10
© The Author(s), 2023
Made with FlippingBook Learn more on our blog