Journal of Chemical Software
Online ISSN : 1883-8359
Print ISSN : 0918-0761
ISSN-L : 0918-0761
Development of a Program for Analyzing Solvate in Organic Elemental Analysis
Hirohito TSUENaoko TSUE
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2000 Volume 6 Issue 4 Pages 137-144

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Abstract

A new program has been developed for analyzing composition in an analytical sample that involves solvent molecules along with a target compound. It has the ability to handle three different kinds of solvents at a time though one of them is fixed as water. The calculation is carried out successively by the construction of a determinant, by transformation to the normal equation, and finally by the application of the Gauss elimination method. Logical analyses on compounds 14 were performed as an example of the use of this program. Taken in the light of experimental procedures in the laboratory, the present program will enable us to easily analyze most of the samples that show disagreement between the theoretical value and the observed one.

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© 2000 by the Chemical Software Society of Japan
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