Role of Water in Supercritical Water Oxidation

菲利普教授E.萨维奇将研究有机化合物在超临界水中的部分和全部氧化。 这些反应可作为焚烧的替代方法应用于废物处理。 水的浓度，压力和温度对反应速率的影响将被解耦，使用惰性气体作为稀释剂。 水的介电常数和笼效应作为密度的函数的作用，将从其作为反应物的作用中分离出来，并用机械动力学模型进行研究。 将进行量子化学和分子动力学计算以研究水分子对H2O2解离速率的影响。

Professor Phillip E. Savage will study the partial and total oxidation of organic compounds in supercritical water. These reactions are applicable in waste treatment as alternatives in incineration. The effect of water concentration, pressure, and temperature on reaction rates will be uncoupled, using inert gases as diluents. The role of dielectric constant and cage effect of the water as a function of density, will be separated from its role as reactant, and studies with mechanistic kinetic models. Quantum chemical and molecular dynamics calculations will be performed to study the influence of water molecules on the rate of H202 dissociation.