Development of a Program for Analyzing Solvate in Organic Elemental Analysis

Hirohito TSUE* and Naoko TSUE

Division of Material Science, Graduate School of Environmental Earth Science, Hokkaido University
Kita 10, Nishi 5, Kita-ku, Sapporo 060-0810, Japan

(Received: January 18, 2000; Accepted for publication: March 14, 2000; Published on Web: July 10, 2000)

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 1-4 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.

Keywords: Elemental analysis, Solvate, Determinant, Gauss elimination

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