Development of special high pressure and high temperature equipment and spectroscopic in situ investigations

化学物质在氨热反应条件下的溶解行为取决于系统参数温度、压力、溶剂类型以及矿化剂的性质和浓度。某些行为的内在原因不能仅通过溶解度测量来获得，因为这些参数相互影响。这一问题可以通过将特征变量与溶解度联系起来的状态方程来解决。对于与氨水热体系相当的水热体系，用Helgeson-Kirkham-Flowers-Tanger状态方程来预测不同化合物的溶解度作为上述系统参数的函数。目前还不可能在不久的将来建立氨热系统的状态方程，但我们的目标是为此奠定基础。这些测量必须与可靠的反应物溶解度测量相结合，如质量激光测量、X射线、UV-Vis和拉曼光谱。溶解度测量应继续包括与氨热介质接触的组分的腐蚀实验。TP 3提供了所有必需的状态变量的测量技术，应与所有子项目一起进行评估。这些见解将有助于TP 6的流动模拟。此外，原位拉曼光谱和UV-Vis光谱可以提供关于即时分子环境的有价值的信息。根据这些数据和中间产物TP-2的非原位数据，可以阐明氮化物生成的反应机理。这还包括对新发现的三元氮化物和二元氮化物TP 1和TP 2的路径进行测量。

Solution behavior of chemical substances under ammonothermal reaction conditions depends on the system parameters temperature, pressure, type of solvents and the nature and concentration of the mineralizer. The intrinsic reasons for certain behavior are not obtainable by solubility measurements only, since these parameters influence each other. This problem can be solved by an equation of state which links the characteristic variables with the solubility For hydrothermal systems, which are comparable to ammonothermal systems, the Helgeson-Kirkham-Flowers -Tanger equation of state is used for predicting the solubility of different compounds as a function of the above mentioned system parameters . lt is not yet possible to develop an equation of state for the ammonothermal system in the near future, but the goal is fo lay the foundations for this. These measurements with reliable solubility measurements of reactants, such as mass lass measurements, X-rays and UV-VIS and Raman spectroscopy, have to be combined . Solubility measurements should continue to include corrosion experiments with components that are in contact with the ammonothermal medium. The TP 3 provides measurement techniques for all required variables of state, which should be evaluated together with all sub-projects . The insights will be helpful for flow simulations by TP 6. In addition, in situ Raman and UV-VIS spectroscopy can provide valuable information on the immediate molecular environment. With these data and the ex situ data from TP 2 of the intermediates, the reaction mechanisms of nitride formation shall be elucidated. This also includes the measurement of the newly discovered pathways to the ternary and binary nitrides of TP 1 and TP 2.