Evidence map›Paper›PMID 39940766›Full record

ArticleInternational journal of molecular sciences2025

The Single-Parameter Bragg-Williams Model for Eutectic Solvents.

Ozge Ozkilinc, Miguel Angel Soler, Paolo Giannozzi, Santiago Aparicio, Federico Fogolari

Abstract read
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Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Ozge OzkilincDipartimento di Scienze Matematiche, Informatiche e Fisiche (DMIF), University of Udine, 33100 Udine, Italy.ORCID 0000-0003-2023-339X
Miguel Angel SolerDipartimento di Scienze Matematiche, Informatiche e Fisiche (DMIF), University of Udine, 33100 Udine, Italy.ORCID 0000-0002-5780-9949
Paolo GiannozziDipartimento di Scienze Matematiche, Informatiche e Fisiche (DMIF), University of Udine, 33100 Udine, Italy.ORCID 0000-0002-9635-3227
Santiago AparicioDepartment of Chemistry, University of Burgos, 09001 Burgos, Spain.ORCID 0000-0001-9996-2426
Federico FogolariDipartimento di Scienze Matematiche, Informatiche e Fisiche (DMIF), University of Udine, 33100 Udine, Italy.ORCID 0000-0001-9862-250X

Funding

Italian Ministry of the University and the Research 2021RTDA46_02B2_DMIFItalian Ministry of the University and the Research DOT215B2RJ
6 · The paper itself

Abstract

The study of solid-liquid equilibria offers critical insights into the molecular interactions between constituents in binary mixtures. Predicting these equilibria often requires comprehensive thermodynamic models, yet simplified approaches can provide valuable perspectives. In this work, we explore the application of the Bragg-Williams model to solid-liquid equilibria in binary mixtures leading to the formation of eutectic solvents. This model relies on a single parameter-the molar energy change upon mixing compounds-and demonstrates noteworthy features: the parameter can be estimated from a few (in principle, from a single) experimental melting points, and it correlates strongly with interaction energy parameters from more complex models, such as the PC-SAFT molecular-based equation of state. By using the Bragg-Williams model, we provide a straightforward and informative framework for characterizing solid-liquid equilibria, enabling insights into molecular interactions while requiring few data points as input. Despite its simplicity, the model effectively captures the essence of binary mixture energetics, positioning it as a practical tool for advancing the understanding of phase behavior in eutectic solvent systems.

Indexed as

Models, ChemicalSolventsPhase TransitionThermodynamicsSolventsbinary mixturesBragg–Williamseutectic solvents

Identifiers

PMID39940766
PMCPMC11816385

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.