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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section09
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433. Delta H Versus K-1
by Russell S. Drago, Department of Chemistry,
University of Illinois, Urbana, Illinois 61801
This program can be used to determine best-fit values
for H and K for a reaction between an acid and a base.
It has been written for those cases in which a 1:1
adduct is formed, although it may be used for a system
which forms a 2:1 adduct to analyze a region for which
no 2:1 adduct has yet formed. The program is able to
analyze calorimetric data by the incremental and the
cumulative methods and can analyze spectroscopic data
by the cumulative method.
To perform an incremental fit, NFIT must be zero.
Since the incremental evolution of heat (H) is a
function not only of the total acid and base
concentrations but also of the previous injection, the
data cards must be in the same order as that in which
the experiment was done. To simultaneously analyze
multiple sets of data, i.e., to obtain one H and one
K, KDATA should equal 1 for the first injection of each
additional set. For cumulative fits, NFIT>0, and the
order of data cards and the value of KDATA are
irrelevant.
FORTRAN IV (IBM)
Lines of Code: 275
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