Thermodynamic properties of associated solutions

Marsh, K. N.; Köhler, Friedrich

doi:10.1016/0167-7322(85)80003-9

Cited by 41 publications

(10 citation statements)

References 45 publications

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“…Typically, an immiscible region terminates at an upper critical solution temperature (UCST), above which the mixture is fully miscible. In some hydrogen-bonded systems, however, further cooling leads to re-entrant miscibility and a closed-loop gap in the phase diagram appears [6,7,8]. We therefore report here an attempt to explore structural properties of methanolwater mixtures far from the ambient state point.…”

Section: Introductionmentioning

confidence: 99%

Segregation in aqueous methanol enhanced by cooling and compression

Dougan

Hargreaves

Bates

et al. 2005

The Journal of Chemical Physics

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Molecular segregation in methanol-water mixtures is studied across a wide concentration range as a function of temperature and pressure. Cluster distributions obtained from both neutron diffraction and molecular dynamics simulations point to significantly enhanced segregation as the mixtures are cooled or compressed. This evolution toward greater molecular heterogenity in the mixture accounts for the observed changes in the water-water radial distribution function and there are indications also of a change in the topology of the water clusters. The observed behavior is consistent with an approach to an upper critical solution point. Such a point would appear to be "hidden" below the freezing line, thereby precluding observation of the two-fluid region.

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Section: Introductionmentioning

confidence: 99%

Segregation in aqueous methanol enhanced by cooling and compression

Dougan

Hargreaves

Bates

et al. 2005

The Journal of Chemical Physics

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“…We did not specify the state of the reference system, so eq 10 should work for liquids, gases or solidsas long as the reference system is well-defined. The hydrogen bonds in this model could be “simple” or cooperative; the latter means that formation of the subsequent bonds with the same molecule could be enhanced by the formation of the first bond. , The only situation when eq 10 does not work is when the formation of a hydrogen bond influences formation of another hydrogen bond between the same molecules. Then our basic premise p ij ∼ 1/ V does not work, and eq 10 is not valid.…”

mentioning

confidence: 99%

Equation of State for Hydrogen-Bonded Systems

Veytsman¹

1998

J. Phys. Chem. B

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“…or “associates”. Although the very existence of these associates as distinguishable molecular entities is a matter of controversy in the literature, it has been invoked often in the past and forms the backbone of the so called association approach . We have followed this approach in the past for studying systems like alkanol−alkane mixtures, alkanol−amine mixtures, and polymer solutions in which the polymer can cross-associate with a self-associating solvent …”

Section: Introductionmentioning

confidence: 99%

Hydrogen-Bonding Cooperativity and Competing Inter- and Intramolecular Associations: A Unified Approach

Missopolinou

Panayiotou

1998

J. Phys. Chem. A

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Cooperativity in hydrogen bonding has been repeatedly invoked in the literature. Very often a distinction is made between the association constant for the “dimer” formation and the corresponding constant for the formation of association complexes beyond dimer. This work examines this cooperativity hypothesis and proposes a straightforward manner of integrating it in the framework of the lattice-fluid hydrogen-bonding (LFHB) equation-of-state model. This integration is done without altering the basic rationale of the LFHB model for the enumeration of hydrogen bond configurations for the self-association and cross-association in the system. The model can accommodate hydrogen bond cooperativity in complex systems, even polymer mixtures forming three-dimensional networks of hydrogen bonds, and permits its study over an extended range of temperatures and pressures. As additional examples of the applicability of the method, the formation of cyclic associates and of intramolecular hydrogen bonds is also examined.

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Thermodynamic properties of associated solutions

Cited by 41 publications

References 45 publications

Segregation in aqueous methanol enhanced by cooling and compression

Segregation in aqueous methanol enhanced by cooling and compression

Equation of State for Hydrogen-Bonded Systems

Hydrogen-Bonding Cooperativity and Competing Inter- and Intramolecular Associations: A Unified Approach

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