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- W2022273859 abstract "The role of the polymorphic transformation was investigated by X-Ray diffraction in the habit modification process of terephthalic acid reported earlier (Gaines, Myerson). Contrary to the expectations it was found that only one of the two polymorphs described in the literature (Bailey, Brown) was present. Using an interatomic function derived (Derissen, Smit) to approximate the crystallographic properties of this class of organic acids, we calculated the lattice energies of the two proposed polymorphs of terephthalic acid. These were found to be 41.02 and 39.99 kcal/mole for the polymorphs I and II, respectively. The heat of transition calculated (1.03 kcal/mole) is small enough to be overcome by an increase of the enthropy term and the polymorphic transition is realizable. Mit Hilfe von Röntgenstrahlen wurde die Rolle untersucht, die die polymorphe Umwandlung in dem früher beschriebenen Prozeß (Gaines, Myerson) der Alterung von Terephthalsäurekristallen spielte. Entgegen den Erwartungen konnte festgestellt werden, daß nur eine der beiden Formen, die in der Literatur beschrieben worden sind (Bailey, Brown), zu finden war. Um die thermodynamische Stabilität zu beurteilen, wurden deren Gitterenergien mit Hilfe einer Atom-Atom-Funktion berechnet, die für diese Klasse von organischen Säuren publiziert wurde (Derissen, Smit). Die Gitterenergien waren 41,02 und 39,99 kcal/mole, was eine Umwandlungswärme von 1,03 kcal/mole ergab, klein genug, so daß die Umwandlung erfolgen kann, wenn die Temperatur genügend hoch ist." @default.
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- W2022273859 date "1985-02-01" @default.
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- W2022273859 title "Polymorphism and aging in terephthalic acid" @default.
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- W2022273859 doi "https://doi.org/10.1002/crat.2170200215" @default.
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