Dataset and kinetic model reaction compilation for the radical-induced degradation of formic acid and formate in aqueous solution

Gregory P Horne; Peter R Zalupski; Dayna L Daubaras; Cathy Rae; Stephen P Mezyk; Bruce J Mincher

doi:10.1016/j.dib.2020.106271

Dataset and kinetic model reaction compilation for the radical-induced degradation of formic acid and formate in aqueous solution

Data Brief. 2020 Sep 3:32:106271. doi: 10.1016/j.dib.2020.106271. eCollection 2020 Oct.

Authors

Gregory P Horne¹, Peter R Zalupski¹, Dayna L Daubaras¹, Cathy Rae¹, Stephen P Mezyk², Bruce J Mincher¹

Affiliations

¹ Center for Radiation Chemistry Research, Idaho National Laboratory, Idaho Falls, ID, P.O. Box 1625 83415, USA.
² Department of Chemistry and Biochemistry, California State University Long Beach, 1250 Bellflower Boulevard, Long Beach California 90840-9507, USA.

Abstract

This article contains the individual datasets and complete reaction kinetics compilation for the formic acid/formate component of the kinetic model described in "Radiolytic Degradation of Formic Acid and Formate in Aqueous Solution: Modeling the Final Stages of Organic Mineralization under Advanced Oxidation Process Conditions" [1]. Gamma irradiation data were collected for aqueous sodium formate solutions under pH = 1.5 and 9.0 conditions. To determine the optimum conditions necessary to effectively mineralize formic acid/formate in an Advanced Oxidation Process utilized for water treatment, several solution compositions were evaluated: air, nitrogen, and nitrous oxide saturation. Data were collected by a combination of high performance liquid chromatography and gas chromatography. These measured values were used to construct a kinetic computer model, by combining with published literature rate coefficients and optimizing specific important rate coefficients to afford the best agreement with experimental data.

Keywords: AOP chemistry; Gamma radiolysis; Gas chromatography; High performance liquid chromatography; Reaction kinetics compilation.