Ammonium sulfate: equilibrium and metastability phase diagram from 40 to -50 degrees Celsius
Article Abstract:
An ammonium sulfate water [(NH4)2SO4/H2O] phase diagram was presented. The phase diagram was analyzed in relation to the use of single-particle experiments for the generation of complete and precise thermodynamic phase diagrams. Bulk data and elements of the derived equilibrium phase diagram for (NH4)2SO4/H2O were consistent. However, a low-temperature crystalline phase composed of (NH4)sO4.4H2O was discovered. The phase diagrams were found applicable in analyzing equilibrium phase transitions and metastable to stable phase transitions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Analytical free energy minimization of silica polymorphs
Article Abstract:
Free energy minimization based on analytical derivatives was used to model quartz and microporous silica polymorphs. To enhance the effectiveness of this approach, a new set of shell model potentials has been derived based on the properties of alpha-quartz which avoid the need for genuine three-body interactions. The results are discussed and the implications of this approach for complex systems as well as its advantages and disadvantages, are evaluated.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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