Looking for breakthrough ideas for innovation challenges? Try Patsnap Eureka!

A method for identifying denitrification active sites of mop catalysts

A catalyst and active site technology, applied in the research field of catalyst development and utilization, can solve problems such as difficulty in identifying, and achieve the effects of low equipment requirements, instrument cost saving, and simple operation

Inactive Publication Date: 2016-08-03
CHINA UNIV OF PETROLEUM (EAST CHINA)
View PDF6 Cites 0 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

Since some reaction intermediates cannot be detected in the experiment, the specific process of the related reaction cannot be determined, so the reaction mechanism of the nitrogen-containing compound HDN is difficult to recognize only from the experimental point of view

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • A method for identifying denitrification active sites of mop catalysts

Examples

Experimental program
Comparison scheme
Effect test

Embodiment Construction

[0026] The method of the present invention is described in detail below with reference to the accompanying drawings.

[0027] In order to make the objectives and technical solutions of the present invention clearer, the technical solutions and advantages of the present invention will be further understood by taking the identification and screening of pyridine on the HDN active site on the surface of MoP(001) as an example.

[0028] Any version of the MS software used this time has the modules and programs used in this application.

[0029] As shown in the accompanying drawings, a schematic diagram of the technical process involved in the present invention is provided.

[0030] The basic calculation and analysis process is as follows:

[0031] 1. Model building

[0032] a. According to the nitrogen-containing model molecule pyridine and the catalyst MoP(001) surface, search for relevant experimental and theoretical literature, collect corresponding data, and construct appropr...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

PUM

No PUM Login to View More

Abstract

The invention relates to a method for identifying MoP catalyst denitrification active sites. The method is characterized in that a periodic DFT (density functional theory) method is utilized for studying the HDN (hydrodenitrogenation) reaction process of nitrogen-containing compounds on MoP surfaces, and efficient MoP catalyst denitrification active sites are identified through studying the adsorption, step-by-step hydrogenation and denitrification reaction mechanisms of the nitrogen-containing compounds on the MoP surfaces, analyzing the thermodynamic and kinetic parameters of an absorption structure and elementary reaction, reaction network and the like, and using methods of energy barrier decomposition, reaction speed and electronic structure analysis and the like. When the method is used for studying the MoP catalyst denitrification active sites, convenience, high speed, accuracy and resource saving are realized.

Description

technical field [0001] The invention relates to the research field of catalyst development and utilization, in particular to a method for identifying denitrification active sites of MoP catalysts, which is characterized in that the MoP catalysts are used to study the denitrification active sites of nitrogen-containing compounds catalyzed by MoP catalysts using density functional theory (DFT). Background technique [0002] Deep denitrification of petroleum oil is of great significance to the development and utilization of petroleum resources and environmental protection. How to efficiently remove nitrogen from petroleum fractions has always been the focus of research. At present, the oil refining industry mainly adopts hydrorefining technology to realize the production of clean fuels. The technology corresponding to the removal of nitrogen-containing compounds in oil products is called hydrodenitrogenation (HDN), which is to catalyze petroleum fractions at a certain temperatur...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

Application Information

Patent Timeline
no application Login to View More
Patent Type & Authority Patents(China)
IPC IPC(8): G06F17/50
Inventor 鲁效庆朱青魏淑贤史晓凡靳栋梁邓志刚郭文跃
Owner CHINA UNIV OF PETROLEUM (EAST CHINA)
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Patsnap Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Patsnap Eureka Blog
Learn More
PatSnap group products

Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com