TY - GEN
T1 - Modeling gas separation of greenhouse gases with ionic liquids and deep eutectic solvents
AU - Llovell, Félix
AU - Orduña-Lloret, Joel
AU - Vega, Lourdes F.
PY - 2016
Y1 - 2016
N2 - This work illustrates several practical examples based on the solubility of greenhouse gases on selected ionic liquids (ILs) and Deep Eutectic Solvents (DESs), in order to evaluate its feasibility as a possible greener media for gas separation. A coarse-grained molecular model, within the framework of the soft-SAFT equation of state is presented for each molecule based on structural information. Particular attention is paid on the hydrogen-bonding effects on these molecules when building an accurate molecular model to describe the main gas-solvent interactions. The absorption of relevant gases is accurately describe and compared with experimental data using a minimum amount of information, trying to assess the most appropriate solvent and the optimal operating conditions to maximize each gas separation.
AB - This work illustrates several practical examples based on the solubility of greenhouse gases on selected ionic liquids (ILs) and Deep Eutectic Solvents (DESs), in order to evaluate its feasibility as a possible greener media for gas separation. A coarse-grained molecular model, within the framework of the soft-SAFT equation of state is presented for each molecule based on structural information. Particular attention is paid on the hydrogen-bonding effects on these molecules when building an accurate molecular model to describe the main gas-solvent interactions. The absorption of relevant gases is accurately describe and compared with experimental data using a minimum amount of information, trying to assess the most appropriate solvent and the optimal operating conditions to maximize each gas separation.
UR - http://www.scopus.com/inward/record.url?scp=85019160156&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:85019160156
T3 - Engineering Sciences and Fundamentals 2016 - Core Programming Area at the 2016 AIChE Annual Meeting
SP - 732
EP - 741
BT - Engineering Sciences and Fundamentals 2016 - Core Programming Area at the 2016 AIChE Annual Meeting
PB - AIChE
T2 - Engineering Sciences and Fundamentals 2016 - Core Programming Area at the 2016 AIChE Annual Meeting
Y2 - 13 November 2016 through 18 November 2016
ER -