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Phys. Rev. E 58, R12 - R15 (1998)

Phase behavior of associating liquid mixtures

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Michael Kotelyanskii, Boris Veytsman, and Sanat K. Kumar *
Department of Materials Science and Engineering, Pennsylvania State University, University Park, Pennsylvania 16802

Rapid Communication Received 20 January 1998

We present computer simulation results for the phase behavior of a liquid mixture with nonspecific dispersive interactions and directionally specific hydrogen bonds. The mixture exhibits complex closed loop phase behavior, which is in good qualitative accord with past theories. In addition, the model predicts the formation of self-assembled supramolecular structures at low temperatures in agreement with experiment.


©1998 The American Physical Society

URL: http://link.aps.org/abstract/PRE/v58/pR12
DOI: 10.1103/PhysRevE.58.R12
PACS: 61.20.Ja, 64.75.+g

* Electronic address: kumar@plmsc.psu.edu

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