Method for quantitatively analyzing chemical stability of insulating gas molecules under external electric field
An insulating gas, quantitative analysis technology, applied in the direction of electrical digital data processing, data processing applications, instruments, etc., can solve the problems of high calculation cost, cumbersome simulation process, low repeatability, etc. Intuitive, highly reproducible results
- Summary
- Abstract
- Description
- Claims
- Application Information
AI Technical Summary
Problems solved by technology
Method used
Image
Examples
Embodiment Construction
[0042] Such as figure 1 Shown, an embodiment with insulating gas c-C 4 f 8 Molecule as an example, molecular model such as figure 2 As shown, using Gaussian09 software, the method for quantitatively analyzing the chemical stability of insulating gas molecules under an external electric field includes the following steps,
[0043] Step 1: Establish Insulating Gas c-C 4 f 8 molecular model;
[0044] Step 2: Set the parameters of the molecular simulation software, where the functional is B3LYP, the basis set is 6-311G*, optimize the molecular structure under no electric field environment, and save the result file;
[0045] Step 3: Apply an electric field with a step size of 0.005a.u. and a range of -0.03a.u. to 0.03a.u. along the x-axis direction. The keyword for writing the electric field is field=x-N nosymm, that is, the value of N is -300 to 300, and the step size is 50. Use the keyword int=ultrafine to increase the number of spatial grid points of the integral to ensur...
PUM
Abstract
Description
Claims
Application Information
- R&D Engineer
- R&D Manager
- IP Professional
- Industry Leading Data Capabilities
- Powerful AI technology
- Patent DNA Extraction
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