Other
Scientific paper
Oct 1994
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1994gecoa..58.4065v&link_type=abstract
Geochimica et Cosmochimica Acta, vol. 58, Issue 19, pp.4065-4092
Other
2
Scientific paper
The method of prediction of enthalpy of formation of a multi-site compound has been developed in Part 1. This method of prediction is based on the use of the following parameters coming from the crystal structure refinements: first by spatial group, bond lengths, shortest bond lengths, molecular volume, and second from the optical properties. Part 2 shows the application of this method with 180 minerals and synthetic compounds belonging to the system Li 2 O-Na 2 O-K 2 O-BeO-MgO-CaO-MnO-FeO-Fe 2 O 3 -Al 2 O 3 -SiO 2 -H 2 O which are gathered in a series of tables according to the spatial group and also to the nature of the family: hydroxides, metasilicates, orthosilicates, pyroxenes, olivines, feldspars, melilites, garnets, aluminates, ferrites, oxoferrates, spinels, phyllosilicates, hydrosilicates, amphiboles, and zeolites. The mean of absolute residual error is 0.59%. Among the twenty-three compounds exhibiting a residual error greater than ±1%, are some hydrogen-bearing minerals which may have a predicted enthalpy of formation from oxides closer to the experimental data by taking into consideration the orientation of water molecules and the hydrogen around the oxygens. This study initially demonstrated for lawsonite, may be applied to other hydrogen-bearing minerals such as natrolite, scolecite, mesolite, yugawaralite, clinochlore, cookeite, carpholite, and chloritoid. From the available recent crystal refinements of some minerals, the enthalpies of formation have been evaluated for the following minerals:
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Prediction of enthalpy of formation based on refined crystal structures of multisite compounds: Part 2. Application to minerals belonging to the system Li 2 O-Na 2 O-K 2 O-BeO-MgO-CaO-MnO-FeO-Fe 2 O 3 -Al 2 O 3 -SiO 2 -H 2 O. Results and discussion does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
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