Determining the dissociation extent of ionic liquids in water using the PDH plus UNIQUAC model

• Type: Article in International Scientific Journal
• Date: 2022

Authors

Maria Eugénia Macedo (Author) FEUP; Hugo Marques (Author) FEUP; Pedro Velho (Author) FEUP; Elena Gómez (Author) FEUP

Journal

Title: Journal of Molecular Liquids

Vol. 348

ISSN: 0167-7322

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 1 Citation

ISI Web of Science

Scopus

Scientific classification

CORDIS: Technological sciences

FOS: Engineering and technology

Associated Projects

LA LSRE-LCM - Financiamento Plurianual 2020-2023 para a Unidade LA LSRE-LCM Laboratório de Processos de Separação e Reacção - Laboratório de Catálise e Materiais

Other information

Authenticus ID: P-00W-5YR

DOI: 10.1016/j.molliq.2021.118403

Abstract (EN): The main goal of this work was to find a novel way of qualitatively determining the dissociation extent of ionic liquids (ILs) in water, based only on thermodynamic models. The UNIversal QUAsi-Chemical (UNIQUAC) model was applied separately (to account for short-range interactions and considering only neutral molecules) and coupled with the Pitzer-Debye-Huckel (PDH) equation (to account for long-range interactions) to binary temperature-composition data (Txx). For calculating the closest approach parameter (rho), which appears in the PDH equation, a new method was developed considering the ionic radii and solvation. This novel strategy, which considers that ILs may dissociate and accounts for the dissociation extent, allows the description of systems containing these compounds more accurately, which is a very useful tool for both academia and industry. (C) 2021 Published by Elsevier B.V.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 8