Abstract

The objective of this research proposal is the development of thermodynamically founded models to accurately predict the melting temperature of ionic liquids (ILs). The study will consider three types of models: i) generalized correlations; ii) group contribution methods; and iii) neural network models. Melting temperature is one of the most important properties needed for the design and application of ILs. To reach this general goal the following specific objectives, that will allow to control the progress of the project, are proposed: i) to analyze the present methods for the correlation and prediction of the melting temperature (first year); ii) to implement an appropriate software to perform the calculations required in generalized correlations, in group contribution methods, and in neural network modeling (first and second year); iii) to propose new models for correlating and specially for predicting the melting temperature and to estimate either directly or indirectly the uncertainty of such estimations (second and third year); and iv) to contribute to the present knowledge in the area of physical and physico-chemical properties of ILs through publications and conference presentations (during the whole period of the project).