Affiliation:
1. State Key Laboratory of Chemical Engineering, Shanghai Engineering Research Center of Hierarchical Nanomaterials, Frontiers Science Center for Materiobiology and Dynamic Chemistry, and School of Chemistry and Molecular Engineering East China University of Science and Technology Shanghai China
2. School of Physics East China University of Science and Technology Shanghai China
Abstract
AbstractWith the rapid advancement of the new energy industry, porous electrode materials and complex electrolytes have gained widespread usage. Electrolytes exhibit distinctive phase behavior when subjected to the combined influence of confined space and electric fields. However, the measurement and prediction of such phase behavior encounter significant challenges. Consequently, numerous theoretical tools have been employed to establish models for phase equilibrium calculations. Nevertheless, current research in this field has notable limitations and fails to address the confinement of space or complex polymer electrolytes. Considering these shortcomings, an associating polymer density functional theory (PDFT) was developed by modifying excess free energy. This study examines the phase behavior of electrolytes with various chain lengths within diverse confined slits, revealing that the confinement effect and fluid tail chains can narrow the phase diagram. Additionally, a linear correlation between the electric field strength and the phase equilibrium offset has been identified, and a quantitative relationship is derived. The results of this investigation contribute to a deeper comprehension of complex fluid phase behavior and guide the design of electrochemical devices.
Funder
State Key Laboratory of Clean Energy Utilization
National Key Research and Development Program of China
Fundamental Research Funds for the Central Universities
National Natural Science Foundation of China