Document type
Conference papers
Document subtype
Abstract
Title
Molecular Insight on the Properties of Ionic Liquid + Water Mixtures: From Experiment to Modelling
Participants in the publication
Carlos A. Nieto de Castro (Author)
Dep. Química e Bioquímica
CQE
Summary
Chemical process design need, for the sake of quality of investment, operation and safety, accurate values of the thermophysical (and toxicological) properties of liquids. Ionic liquids as possible replacements of currently chemicals for which European and International agencies have mandatory requirements, in actual and future chemical processes, generate a plethora of mixtures, that need an effort to devise reliable prediction and estimation methods, in the impossibility of measuring all properties of all systems known [1,2]. Water, as the main chemical engineering fluid, is a natural choice, but its use alone is not sufficient. In our laboratory a systematic study of the properties of [C2mim][X] ionic liquids mixtures with water, by measuring properties that can give a molecular insight on the structure of the mixtures, combined with molecular simulation and spectroscopic information.\nIt is the purpose of this contribution to report our findings, for ionic liquids where X = CH3COO-, CH3SO3- and N(CN)2-, for properties like density, speed of sound, viscosity, electric conductivity, thermal conductivity, infinite dilution diffusion coefficients and refraction index [3-5] and discuss the possible structure of their aqueous systems, in all range of compositions, schematically presented in Figure 1 for the [C2mim][CH3SO3] + water mixture [4], extended to all systems.\n\nSignificant references\n1. J.M.P. França, C.A. Nieto de Castro, V.M.B. Nunes, M.L.S. Matos Lopes. J. Chem. Eng. Data, 54 (2009), pp. 2569–2575. \n2. Xavier Paredes, Maria José V. Lourenço, Carlos A. Nieto de Castro, W.A. Wakeham, Fluids, 6 (2021), 116. \n3. C.S.G.P. Queirós, X. Paredes, T.F.S. Avelino, D.E.N. Bastos, M. Ferreira, F.J.V. Santos, A.F. Santos, M.L.M. Lopes, M.J.V. Lourenço, H. Pereira and C.A. Nieto de Castro. J. Mol. Liq., vol. 297 (2020), 111925.\n4. F.E.B. Bioucas, C.S.G.P. Queirós, D. Lozano-Martín, M. Ferreira, X. Paredes, A.F. Santos, F.J.V. Santos, M.L.M. Lopes, M. I. Lampreia, M.J.V. Lourenço, C. A. Nieto de Castro and K. Massonne, Ind. Eng. Chem. Res., 61 (2022), 2280–2305.\n5. A.Lamas, C. Magendran, R.M. Almeida, X. Paredes, A.F. Santos, I.M.S. Lampreia, F.J.V. Santos, M.J.V. Lourenço, C.A. Nieto de Castro. J. Chem. Eng. Data, 2023 (in publication).\n
Editor(s)
Alberto Muscio
Date of Publication
2023-09-10
Institution
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA
Event
ECPT2023 – 22nd European Conference on Thermophysical Properties, Venice, Italy, September 10-13, 2023
Publication Identifiers
Address
Venice, Italy
Organizers
Associazione Italiana Proprietà Termofisiche, University of Modena and Reggio Emilia, National Research Council of Italy and IUAV University of Venice
Publisher
Associazione Italiana Proprietà Termofisiche
Collection
Book of Abstracts
Number of pages
1
Starting page
165
Document Identifiers
ISBN - 9791221042207