A predictive group-contribution framework for the thermodynamic modelling of CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline" id="d1e8709"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: New data and SAFT-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si12.svg" display="inline" id="d1e8717"><mml:mi>γ</mml:mi></…

A significant effort is under way to identify improved solvents for carbon dioxide (CO 2 ) capture by chemisorption. We develop a predictive framework that applicable aqueous solvent + CO mixtures containing cyclic amines, alkyl polyamines and alkanolamines. number of the studied exhibit liquid-liquid phase separation, behaviour has shown promise in reducing energetic cost capture. The proposed based on SAFT- γ Mie group-contribution (GC) approach, which chemical reactions are described via physical association models allow simpler, implicit, treatment speciation characteristic these mixtures. use previously optimized group interaction parameters between some amine groups water (Perdomo et al., 2021) as well new interactions cNH, cN, NH , NH, N, cCHNH, cCHN with ; set second-order also developed account proximity effects combination literature data experimental measurements absorption cyclohexylamine systems obtained this work, used test models. GC approach predict thermodynamics selected mixtures, including ternary diagrams mixing properties relevant context current work constitutes substantial extension range amine-based can be modelled thus offers most comprehensive thermodynamically consistent platform date screen novel candidate