Reactivity of Bioinspired Magnesium-Organic Networks under CO2 and O-2 Exposure
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The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and dehydrogenation are investigated for eight zeolites differing in the topology of channels and cages. Monte Carlo simulations are used to calculate enthalpy and entropy ...
Identification of kinetic models is an important task for monitoring, control and optimization of industrial processes. Robust kinetic models are often based on first principles, which describe the evolution of states – number of moles, temperature and vol ...
Developing mathematical models for chemical reaction systems is essential for analysis, development, design, optimization and control of chemical, or biochemical industrial processes. Nowadays, more and more companies across the world have to deal with inn ...
Numerical calculations of the evaporation kinetics of bulk volatile liquids and of water from smectite clay granules are compared with experimental results. The weight loss of the volatiles is analyzed by thermogravimetry and differential calorimetry. Unde ...
CuO have potential applications in various fields, such as gas sensors, solar energy and catalysis. With the aim of trying to obtain CuO with a high specific surface area, an oxalate precipitation route followed by thermal decomposition was studied. Four d ...
Given the intermittent nature of solar radiation, the large-scale use of solar energy requires an efficient energy storage solution. So far, the only practical way to store such large amounts of energy is in the form of a chemical energy carrier, i.e., a f ...
The dissociative chemisorption of methane on metal surfaces is of fundamental and practical interest, being a rate-limiting step in the steam reforming process. The reaction is best modeled with quantum dynamics calculations, but these are currently not gu ...
The identification of kinetic models is an important step for the monitoring, control and optimization of industrial processes. This is particularly the case for highly competitive business sectors such as chemical and pharmaceutical industries, where the ...
The reactions of dolomite with portlandite have been studied at well-spaced temperatures between 20 degrees C and 85 degrees C using XRD Rietveld, TG and SEM methods. The results show quantitatively the faster rates of reaction at higher temperature. Isoth ...
Monitoring, control and optimization of chemical reaction systems often requires in-depth analysis of the underlying reaction mechanisms. This dissertation investigates appropriate tools that facilitate the analysis of homogeneous and gas-liquid reaction s ...