TY - JOUR
T1 - Study of isobaric vapor–liquid equilibria of diethyl carbonate + ethylene carbonate for lithium-ion battery electrolyte solvent recycling
AU - Nagl, Roland
AU - Fan, Zengxuan
AU - Nobis, Christian
AU - Kiefer, Carmen
AU - Fischer, Axel
AU - Zhang, Tian
AU - Zeiner, Tim
AU - Fischlschweiger, Michael
N1 - Publisher Copyright:
© 2023 Elsevier B.V.
PY - 2023/9/15
Y1 - 2023/9/15
N2 - The limited life-cycle of lithium-ion batteries (LIBs) remains a significant issue for the industry. Recycling electrolytes from the batteries is one crucial aspect of LIBs recycling, which can conserve resources and reduce environmental pollution. The vapor–liquid equilibrium (VLE) data and models for the currently widely used carbonates, such as ethylene carbonate (EC), dimethyl carbonate (DMC), propylene carbonate (PC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC), can play an important role in designing the recycling process. In this work, the VLE data of DEC and EC is measured for the first time. A sophisticated equation of state, the Perturbed-Chain Polar Statistical Associating Fluid Theory, is used to establish the VLE model, not only for the newly measured DEC and EC system but also for other carbonates and their mixtures. Through the discussion of how the molecular characteristics of carbonates influence the VLE behavior, the dipolar character of linear carbonate molecules has been revealed. This demonstrates the power and importance of sophisticated modelling approaches in investigating molecular behavior of electrolyte solvents in the context of LIB recycling. Hence, this work provides valuable experimental and model data for designing recycling processes of electrolyte solvents and offers molecular insight into carbonates.
AB - The limited life-cycle of lithium-ion batteries (LIBs) remains a significant issue for the industry. Recycling electrolytes from the batteries is one crucial aspect of LIBs recycling, which can conserve resources and reduce environmental pollution. The vapor–liquid equilibrium (VLE) data and models for the currently widely used carbonates, such as ethylene carbonate (EC), dimethyl carbonate (DMC), propylene carbonate (PC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC), can play an important role in designing the recycling process. In this work, the VLE data of DEC and EC is measured for the first time. A sophisticated equation of state, the Perturbed-Chain Polar Statistical Associating Fluid Theory, is used to establish the VLE model, not only for the newly measured DEC and EC system but also for other carbonates and their mixtures. Through the discussion of how the molecular characteristics of carbonates influence the VLE behavior, the dipolar character of linear carbonate molecules has been revealed. This demonstrates the power and importance of sophisticated modelling approaches in investigating molecular behavior of electrolyte solvents in the context of LIB recycling. Hence, this work provides valuable experimental and model data for designing recycling processes of electrolyte solvents and offers molecular insight into carbonates.
KW - Carbonate
KW - EC-DEC
KW - Electrolyte solvent recycling
KW - Lithium-ion batteries
KW - PCP-SAFT
KW - Vapor-liquid equilibrium
UR - http://www.scopus.com/inward/record.url?scp=85163825723&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2023.122449
DO - 10.1016/j.molliq.2023.122449
M3 - Article
AN - SCOPUS:85163825723
SN - 0167-7322
VL - 386
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
M1 - 122449
ER -