Abstract
Computer simulations of liquid formamide were carried out by the Monte Carlo method at 298 and 348 K. The atom-atom spatial distribution functions, the concentrations of closed H-bonded ring, the radial distributions functions of the geometric centers of the rings, and a number of other characteristics of hydrogen-bonded systems were calculated. It was found that the open chains dominate over cyclic structures, which are prone to association and formation of structural heterogeneities. Characteristic types of molecular associates were determined.
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1911–1917, October, 1998.
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Bushuev, Y.G., Zaichikov, A.M. Structural properties of liquid formamide. Russ Chem Bull 47, 1857–1863 (1998). https://doi.org/10.1007/BF02494484
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DOI: https://doi.org/10.1007/BF02494484