A Method for Analyzing Deuterium Substitution Rates and a Method for Predicting Deuterium Substitution Rates
AssigneeLG Chem, Ltd.
InventorsHyun Sik You, Yongjin Bae, Jo Il Kim, Young Hee Lim, Young Chul Won, Jeongmin Oh, Jeonghyeon Kim, Seung Tae Kim
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Abstract
The present disclosure relates to a method for analyzing and predicting deuterium substitution rates of a deuterium-substituted sample using a mass spectrometry spectrum of the deuterium-substituted sample.
Claims9
A method for analyzing deuterium substitution rates of a sample material, comprising:
- a step 1 of obtaining a mass spectrum for a sample of an analysis object material including one or more compounds selected from the set of chemical species represented by {C(0,n), C(1,n), C(2,n), C(3,n), . . . , C(i,n), C(i+1,n), . . . , C(n−1,n), C(n,n)};
- a step 2 of expressing the mass spectrum of the sample material as a linear combination of the mass spectra of each of element compound belonging to the set;
- and
- a step 3 of calculating the relative content value of each element compound belonging to the set from the coefficients of the linear combination:
- in the compound C(i,n) as each element constituting the set, C means that the compounds as each element constituting the set are identical compounds except for whether they are substituted by hydrogen or deuterium,
- n means the total number of hydrogen and deuterium bond sites in the compound C molecule,
- i means the number of deuterium substitutions in the element compound included in the set, and
- C(i,n) means a compound in which i of the total n hydrogen and deuterium bond sites are substituted by deuterium.
The method for analyzing deuterium substitution rates of a sample material according to claim 12, wherein the inorganic oxide matrix is an inorganic oxide matrix including at least one element selected from the group consisting of silicon, zirconium, aluminum, and cerium.
Dependencies are inferred from the claim text.