化学反応における反応選択性と機能窓法の適用

抄録

In the chemical industry experiments are usually restricted due to production constraints and safety reasons; therefore, a simulation technique is used to model a chemical reaction, the production of vinyl acetate in the gas phase on heterogeneous catalysts. The advantage of this rather theoretical approach consists of calculating as many parameter configurations as needed for a thorough system analysis. Aside from the practical value to investigate potential improvements of the production rate, some aspects of key characteristics are considered. One of the characteristics is the chemical sensitivity such as the conversion ratio of the reacted raw material into the product. Another approach is based on an error equalization in terms of reducing both, unwanted by-products and reacted raw material to enhance formation of the product up to the highest degree. This is also called "maximizing the width of an operating window". Chemical sensitivity (S) is compared to an operating window for static conditions (S/N ratio). Their impact concerning further research is suggested.