Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant
Accuracy of Thermodynamic Databases for Hydroxyapatite Dissolution Constant
复制标题
羟基磷灰石溶解常数热力学数据库的准确性
DOI：
10.1089/ast.2019.2158
复制
发表时间：
2020
期刊：
影响因子：
4.2
通讯作者：
Schoonen, Martin A.
中科院分区：
文献类型：
--
作者：
Sahai, Nita;Schoonen, Martin A.
在广泛使用的水相形态计算软件程序中，磷酸钙矿物的溶解度常数在不同的数据库之间存在差异。在使用这些软件程序时，这可能会导致计算出的水体形态出现严重错误。这一来文的目的是揭露这些差异。羟基磷灰石（HAP）溶解度产物的实验测定结果变化多达10个数量级，这是由于与所使用的HAP中存在杂质、不一致溶解以及溶解二氧化碳污染溶液有关的实验挑战。这表明，数据库thermal .dat中使用的值与没有常见实验问题的实验数据一致，而其他常用数据库使用的值导致大大高估了HAP的溶解度。
Discrepancies have been noted in the solubility constant values of calcium phosphate minerals between various databases employed in widely used aqueous speciation calculation software programs. This can cause serious errors in the calculated speciation of waters when using these software programs. The aim of this communication was to bring to light these discrepancies. Experimental determinations of the hydroxyapatite (HAP) solubility product vary by as much as 10 orders of magnitude as a result of experimental challenges related to the presence of impurities in the HAP used, incongruent dissolution, and the contamination of solutions with dissolved carbon dioxide. It is suggested that the value used in the database Thermo.dat is consistent with experimental data devoid of common experimental problems, whereas other common databases use values that lead to a vastly overestimated solubility of HAP.