Recently, Zhejiang Zhongkong Technology Co., LTD. (hereinafter referred to as: The quantitative computing team of the 5T Technology Department was invited to attend the 33rd Academic Annual meeting of the Chinese Chemical Society and the 90th birthday celebration of the Chinese Chemical Society with the theme of “New Journey · New mission”, and released the applied technology research and development results of the “industrial-grade catalyst whole process design and development system” in the field of quantitative computing industrial catalysis at the meeting.

Catalysis is one of the core technologies of the chemical industry, and catalysts with excellent performance are an important means to achieve national strategic goals such as carbon neutrality, carbon peak, and carbon cycle, which can improve the energy utilization rate and product quality of the chemical industry, reduce carbon emissions, and promote clean production and circular economy development. At present, the catalyst industry has problems such as long production and research and development cycle, high research and development cost, and cyclic fracture of “production, university and research” research and development application. Zhongkang Technology focuses on cracking the basic and source technical problems that restrict the development of process industry from the root, actively builds a talent innovation platform, establishes a high-level and high-level catalytic technology research and development team, and is committed to promoting the high integration of catalytic technology “production – study – research”, and continues to promote the high-quality development of process industry.

SD-98762 101-098762-001

SD-98762 101-098762-001

01

The integration of industry and science promotes the application transformation of quantitative computing technology

Dr. Guo Chenxi, a member of the quantitative calculation team of Zhongkang Technology, emphasized that in order to simulate and predict the industrial catalytic rate, it is necessary to establish an accurate kinetic model considering the coverage effect at the molecular/atomic scale, which is the basis of “quantitative calculation + theoretical catalysis” technology. Team members Chen Peng and Xu Jikai respectively introduced the basic concepts and models of the catalyst management software with the core of “quantitative calculation + reactor model” and the assistant software for the development and application of industrial grade catalysts, and put forward the important issue of “realizing the connection between molecular level simulation and process level simulation”, which is of great significance for the application-oriented transformation of quantitative computing technology promoted by the integration of industry and science. It has aroused extensive attention and heated discussion among the participating scholars.

02

Think deeply about industrial catalytic simulation innovation research and development model

Dr. Guo Chenxi had in-depth exchanges with experts in theoretical simulation, experiment and engineering fields, combined with the real research and development process of catalysts and catalytic processes, and put forward the following thoughts on the challenges and trends of future catalyst research and development:

Quantitative catalysis technology has a wide range of industrial simulation applications, but it lacks accurate description of catalytic performance under complex conditions.
Catalyst management plays a key role in production, operation and R&D amplification.
Catalytic R&D process strategies need to break the limitations of empirical chemical trial and error.