On the cononsolvency behaviour of hydrophobic clusters in water–methanol solutions

Literature Information

Publication Date 2018-02-10
DOI 10.1039/C7CP07943E
Impact Factor 3.676
Authors

Andrea Pica, Giuseppe Graziano


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Abstract

Simple calculations, grounded on the geometric approach to hydrophobic interaction, confirm the occurrence of a minimum in the Gibbs free energy change associated with the formation of several hard sphere clusters in water–methanol solutions with a methanol molar fraction of around 0.3, at room temperature and atmospheric pressure. This finding is in line with the computer simulation results of Mochizuki and Koga [Phys. Chem. Chem. Phys., 2016, 18, 16188]. However, it is underscored that these results cannot be the basis for a rationalization of the cononsolvency phenomenon of the polymers in water–methanol solutions. In fact, there is no Gibbs free energy minimum for the processes more closely resembling polymer collapse, i.e., those involving solely a change in the spatial organization of the same number of hard spheres.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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