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.

Thermodynamics, Phase diagrams, Phase rule and equilibrium, Phase equilibrium, Ammonium sulphate, Ammonium sulfate

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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.

Models, Silicates, Gibbs' free energy

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