TY - JOUR
T1 - A Reaction Method for Estimating Gibbs Energy and Enthalpy of Formation of Complex Minerals
AU - Li, Ruibing
AU - Zhang, Tingan
AU - Liu, Yan
AU - Kuang, Shibo
PY - 2017/4
Y1 - 2017/4
N2 - New and updated thermodynamic data for simple binary compounds are readily available from both experimental measurements and theoretical calculations. Based on these available data, an approach is proposed to predict Gibbs energies and enthalpies of formation for complex minerals of metallurgical, chemical, and other industrial importance. The approach assumes that complex minerals are formed from binary composite oxides, which in turn, are formed from individual pure oxides. The validity of this approach is examined by comparing the calculated values of Gibbs energies and enthalpies against the experimentally measured ones reported in literature. The results show that for typical complex minerals with available experimental data, the calculated results exhibit an average residual of 0.51 pct for Gibbs energies and 0.52 pct for enthalpies, compared to the experimental results. This new approach thus correlates well with experimental approaches and can be applied to most of the complex minerals.
AB - New and updated thermodynamic data for simple binary compounds are readily available from both experimental measurements and theoretical calculations. Based on these available data, an approach is proposed to predict Gibbs energies and enthalpies of formation for complex minerals of metallurgical, chemical, and other industrial importance. The approach assumes that complex minerals are formed from binary composite oxides, which in turn, are formed from individual pure oxides. The validity of this approach is examined by comparing the calculated values of Gibbs energies and enthalpies against the experimentally measured ones reported in literature. The results show that for typical complex minerals with available experimental data, the calculated results exhibit an average residual of 0.51 pct for Gibbs energies and 0.52 pct for enthalpies, compared to the experimental results. This new approach thus correlates well with experimental approaches and can be applied to most of the complex minerals.
UR - http://www.scopus.com/inward/record.url?scp=85009887797&partnerID=8YFLogxK
U2 - 10.1007/s11663-016-0911-7
DO - 10.1007/s11663-016-0911-7
M3 - Article
AN - SCOPUS:85009887797
VL - 48
SP - 1123
EP - 1133
JO - Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science
JF - Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science
SN - 1073-5615
IS - 2
ER -