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The indubitable rise of metal−organic framework (MOF) technology has opened the potential for commercialization as alternative materials with a versatile number of applications that range from catalysis to greenhouse gas capture. However, there are several factors that constrain the direct scale-up of MOFs from laboratory to industrial plant given the insufficient knowledge about the overall safety in synthesis processes. This article focuses on the study of MOF thermal stability, from concept to prediction, and the factors that influence such stability. The core of this work is a thermal stability prediction model for MOFs. This model can be applied to existing and new MOF structures, and it will allow for an estimation of the thermal stability temperature range of MOFs. This work contributes to the overall advancement of MOF technology and the efforts for its commercial use at industrial scale, combining both experimental data and computational techniques.

A study of thermal runaway phenomena in Lithium-Ion Batteries (LIB) was conducted following different approaches. Risks related to thermal runaway are presented based on a series of incidents involving overheating, fires and explosions with these batteries in different devices; significant cases that have occurred in airplane battery cells are shown. An overview of the possible promoters for the thermal event is presented by studying compounds and reactions involved. Kinetic parameter calculations were performed using Differential Scanning Calorimetry (DSC) data available from the literature. Preliminary molecular simulations were made in order to understand mechanisms and related paths proposed. Finally, the system was studied from the perspective of process safety and the theory of runaway reactions.