PC–SAFT modeling of the high pressure VLE data for 2,2,4–Trimethylpentane with Ethanol, 1–Propanol, 2–Propanol and 1–Butanol. Experimental equipment and binary systems at 1.5 MPa

Badajoz, Pedro Susial; García–Montesdeoca, Isabel; García–Vera, Diego; Marrero-Pérez, Aníbal; Herrera–Vega, Patricia; Calvo–Castillo, Luis

doi:10.1016/j.jct.2022.106816

Cited by 1 publication

(1 citation statement)

References 68 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Similarly, secondary alcohols have been modeled with two e-sites and one H-site ,, or one e-site and one H-site. ,− These options are listed in Figure . In accordance with the methodology employed previously, both possibilities are considered for primary amines and secondary alcohols.…”

Section: Methodsmentioning

confidence: 99%

Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Parameterizing Amines, Secondary Alcohols, and Carbon Dioxide-Containing Systems in s-SAFT-γ Mie

Schulze-Hulbe,

Shaahmadi,

Burger

et al. 2023

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

Replacement of aqueous alkanolamine-based carbon capture fluids with nonaqueous alternatives may be a promising route to reduce the energy requirements of current postcombustion carbon capture processes. In line with this, the s-SAFT-γ Mie predictive group contribution Equation of State is developed toward a description of the thermodynamic properties of nonaqueous alkanolamine-based carbon capture systems in this work. A consistent and systematic methodology is used to develop s-SAFT-γ Mie group interaction parameters required for modeling these systems. This entails extending the model to the primary amine (CH 2 NH 2 /NH 2 ) and secondary alcohol (CHOH) groups, as well as their interactions with the n-alkane (CH 2 and CH 3 ) and primary alcohol (CH 2 OH/OH) groups. Parameters were also developed for the interactions of CO 2 with the n-alkane, primary alcohol, and secondary alcohol groups, respectively. The model, with its active parameter sets, generally provides a robust description of the phase equilibria of the systems considered. This renders the developed parameters suitable for expanding the model to ternary-component alkanolamine-based nonaqueous carbon capture systems in further work.

show abstract