Role of Water in Supercritical Water Oxidation

菲利普·e·萨维奇教授将研究超临界水中有机化合物的部分氧化和全部氧化。这些反应适用于垃圾处理，作为焚烧的替代品。使用惰性气体作为稀释剂，水的浓度、压力和温度对反应速率的影响将不耦合。将介电常数的作用和笼效应作为水密度的函数，将其作为反应物的作用分离出来，并用机械动力学模型进行研究。量子化学和分子动力学计算将用于研究水分子对H202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.