发明名称 DESIGN OF NOVEL MATERIAL HAVING METHOD OF USE TO GIVE RISE TO CHEMICAL BOND BY USING DESCRIPTOR OF CHEMICAL BOND
摘要 PROBLEM TO BE SOLVED: To provide an estimation (approximation) method for characteristics in use like the activity of a catalyst in a solid inorganic matrix of material MAB of which, for example, the active element is AB or the force to confine a radioactive isotope element. SOLUTION: This method includes the use of a descriptor DAB of the chemical bond between A and B having the flank of energy and an index RAB for measuring the use characteristics of the material described above. The method of measuring the chemical affinity over the entire part of the element or the element B for the matrix A by the descriptor DAB is provided. This method may be used advantageously for the design of the novel material and the formation or the change of at least one chemical bond is brought about or the formation of the bond described above can be averted by its use.
申请公布号 JP2003053197(A) 申请公布日期 2003.02.25
申请号 JP20010241641 申请日期 2001.08.09
申请人 INST FR PETROLE 发明人 TOULHOAT HERVE
分类号 B01J37/00;H01M8/02 主分类号 B01J37/00
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