Constants optimization - geometrical isomerization
1998
Cupic, Z. (IHTM, Beograd (Yugoslavia). Centar za katalizu i hemijsko inzenjerstvo) | Jovanovic, D. | Guzina, D. | Mares, Lj. | Stankovic, M. | Rozic, Lj. | Markovic, B.
The total trans-isomers concentration during the soybean oil hydrogenation process with the NICAT-2000 catalyst, has been determined by IR spectroscopy, while the present fatty acids' concentrations have been determined by a standard GS method. In the experiment, the cis- and trans-isomers concentrations are almost equal at the end of the process, ao it may be assumed that the retroactive reaction's rate constant has, at least, an approximately close value. The experiment's limitations have conditioned the introduction of several assumptions: all the unsaturated fatty acids proportionally participate in the total trans-isomers; the hydrogenation process rate constant are the same for both cis- and trans-isomers; and the form of an unsaturated fatty acid is not changed by hydrogenation. Based on these assumptions, two reaction models have been proposed. The proposed models served as a basis for the numeric simulation (LSODE algorithm) of the cis and trans forms concentration changes with time, and it has also been compared with the experimental results. The optimization of these values have been done by varying the rate constants for isomerization reactions in some stages of the model. This operation demonstrated that the models is in a satisfying accord with the experiment within the margins of an absolute error up to 5%.
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