Calculation of Glass Properties - Global Models

Global Models

Schott and many scientists and engineers afterwards applied the additivity principle to experimental data measured in their own laboratory within sufficiently narrow composition ranges (local glass models). This is most convenient because disagreements between laboratories and non-linear glass component interactions do not need to be considered. In the course of several decades of systematic glass research thousands of glass compositions were studied, resulting in millions of published glass properties, collected in glass databases. This huge pool of experimental data was not investigated as a whole, until Bottinga, Kucuk, Priven, Choudhary, Mazurin, and Fluegel published their global glass models, using various approaches. In contrast to the models by Schott the global models consider many independent data sources, making the model estimates more reliable. In addition, global models can reveal and quantify non-additive influences of certain glass component combinations on the properties, such as the mixed-alkali effect as seen in the diagram on the right, or the boron anomaly. Global models also reflect interesting developments of glass property measurement accuracy, e.g., a decreasing accuracy of experimental data in modern scientific literature for some glass properties, shown in the diagram. They can be used for accreditation of new data, experimental procedures, and measurement institutions (glass laboratories). In the following sections (except melting enthalpy) empirical modeling techniques are presented, which seem to be a successful way for handling huge amounts of experimental data. The resulting models are applied in contemporary engineering and research for the calculation of glass properties.

Non-empirical (deductive) glass models exist. They are often not created to obtain reliable glass property predictions in the first place (except melting enthalpy), but to establish relations among several properties (e.g. atomic radius, atomic mass, chemical bond strength and angles, chemical valency, heat capacity) to gain scientific insight. In future, the investigation of property relations in deductive models may ultimately lead to reliable predictions for all desired properties, provided the property relations are well understood and all required experimental data are available.