Electro-Organic Field Chemistry (EOFC): A Normalized Trigonometric Reactivity Framework for Pulsed Organic Electrosynthesis
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Description
This manuscript proposes Electro-Organic Field Chemistry (EOFC) as a normalized model-based framework for treating organic reactivity under externally applied electrical conditions. The central equation expresses a dimensionless reactivity or selectivity index as a hybrid function of intrinsic organic structure, voltage, current density, electric-double-layer/interfacial response, and pulsed electrical phase. The model is motivated by the mathematical idea of hybrid polynomial-trigonometric expression spaces and is tested against experimental pulsed organic electrosynthesis data from Blanco, Lee, and Modestino (PNAS, 2019), who studied voltage dosing and artificial-intelligence optimization in the industrially important electrosynthesis of adiponitrile from acrylonitrile. Approximate data were digitized from the published Figure 3, normalized, and fitted to the EOFC equation. The first-order fit gives model-data compatibility for ADN production rate, with R² = 0.801 and RMSE = 0.098 under the digitized dataset, and a moderate compatibility for normalized ADN:PN selectivity, with R² = 0.665 and RMSE = 0.417. The result supports the interpretation of EOFC as a general reactivity-index framework rather than a single-experiment empirical law: the equation form is proposed as general, whereas the fitted coefficients are system-specific.
Originality and AI-use statement:
This work is an original research output by Begüm Yıldırım. AI tools, if used, were limited to language refinement, grammar correction, formatting, translation assistance, and clarity improvement. The conceptual framework, research direction, interpretation, models, and conclusions belong to the author. External sources, datasets, or prior works are cited where applicable.
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eofc_digitized_fit_data.csv
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