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Extension of the Delplot Analysis for Experiments with Non-zero Initial Product Concentrations
- Abo-Ghander, Nabeel S., Klein, Michael T.
- Energy & fuels 2018 v.32 no.5 pp. 6234-6238
- energy, feedstocks, models, petroleum
- The Delplot technique for the classification of experimentally derived reaction products as primary, secondary, tertiary, etc. was extended to address experiments in which reaction products are present in non-zero concentrations in the feed. This allows use of the Delplot method for the complex feedstocks common in energy applications, such as crude oil, where lumped models containing boiling-point-defined pseudocomponents will frequently have non-zero product amounts in the experimental feedstocks. We found that the existence of the intermediate products in the feed changes the behavior of the Delplots. For example, in the A →k1 B →k3 C; A →k2 D sequence with B₀ ≠ 0, the Delplot can suggest B to be primary, secondary, or neither depending upon the ratios k₁/k₂ and A₀/B₀. These findings suggest key additional experiments covering different limits to be able to identify the proper classification of the intermediate products in the reaction network.