TY - JOUR
T1 - Thermodynamic analysis of LiF-BeF2 and KF-BeF2 melts by a structural model
AU - Romero-Serrano, Antonio
AU - Hallen-Lopez, Manuel
AU - Zeifert, Beatriz
AU - Gomez-Yañez, Carlos
AU - Hernandez-Ramirez, Aurelio
PY - 2009/3
Y1 - 2009/3
N2 - An earlier structural model for binary silicate melts and glasses is extended to MF-BeF2 (M = Li, K) systems. The evaluation of the thermodynamic properties as well as the phase diagrams for the binary LiF-BeF2 system and the integral enthalpy of mixing of the KF-BeF2 system are carried out with this model. This thermodynamic model is based on the assumption that each alkali fluoride produces the depolymerization of BeF2 network with a characteristic free energy change. A least squares optimization program permits all available thermodynamic and phase diagram data to be optimized simultaneously. In this manner, data for these binary systems have been analysed and represented with a small number of parameters. The model predicts the chain-length distribution of polymeric ions, even though these are not explicitly treated as structural units of the model. The calculated fluoride polyanion chain-length distribution for the LiF-BeF2 system is in quantitative agreement with the predictions reported in the literature.
AB - An earlier structural model for binary silicate melts and glasses is extended to MF-BeF2 (M = Li, K) systems. The evaluation of the thermodynamic properties as well as the phase diagrams for the binary LiF-BeF2 system and the integral enthalpy of mixing of the KF-BeF2 system are carried out with this model. This thermodynamic model is based on the assumption that each alkali fluoride produces the depolymerization of BeF2 network with a characteristic free energy change. A least squares optimization program permits all available thermodynamic and phase diagram data to be optimized simultaneously. In this manner, data for these binary systems have been analysed and represented with a small number of parameters. The model predicts the chain-length distribution of polymeric ions, even though these are not explicitly treated as structural units of the model. The calculated fluoride polyanion chain-length distribution for the LiF-BeF2 system is in quantitative agreement with the predictions reported in the literature.
KW - Beryllium fluoride melts
KW - Phase diagram
KW - Thermodynamic
UR - http://www.scopus.com/inward/record.url?scp=60649100405&partnerID=8YFLogxK
U2 - 10.1016/j.jfluchem.2008.12.008
DO - 10.1016/j.jfluchem.2008.12.008
M3 - Artículo
SN - 0022-1139
VL - 130
SP - 336
EP - 340
JO - Journal of Fluorine Chemistry
JF - Journal of Fluorine Chemistry
IS - 3
ER -