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1 INTRODUCTION 1.1 MOTIVATION Supercritical fluids have dissolving power comparable to those of liquids, are much more compressible than gases and have transport properties intermediate between gas-like and liquid-like properties. These unique properties can be advantageously exploited in environmentally benign reaction processes, and make SCFs very attractive to industry, where constantly increasing waste disposal costs pose major problems. Industrial separation processes using SCFs have been well established for decades, with the most famous application being coffee and tea decaffeination. Over the past few years, there was much interest also in industrialisation of reaction processes involving supercritical carbon dioxide. The driving force behind this commercialisation of supercritical reaction technology is the goal of developing economically as well as environmentally acceptable processes achieving set targets. The industrial potential of SCFs as reaction media is enhanced by their capability to fine tune reaction rates and the fact that we can select solvent properties. Due to the large compressibility of supercritical fluids, small changes in pressure can produce substantial changes in density, which, in turn, affect diffusivity, viscosity, dielectric, and solvation properties, thus dramatically influencing the kinetics and mechanisms of chemical reactions. This provides the opportunity to conduct a multistep synthesis in one solvent instead of number of solvents at different conditions. Furthermore, while there exists a wealth of potential applications of SCF chemistry, realisation of this potential is severely hindered by our inability to predict accurately reactivity in SCFs. The Arrhenius equation can be used to predict the 1PDF Image | MOLECULAR SIMULATION STUDIES IN THE SUPERCRITICAL REGION
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