"Advanced Oxidation of Tert-Butanol with Ultraviolet Light Emitting Dio" by Lauren R. Mainolfi

Date of Award

3-2024

Document Type

Thesis

Degree Name

Master of Science

Department

Department of Systems Engineering and Management

First Advisor

Willie F. Harper, Jr., PhD

Abstract

Tert-butanol (TBA), a versatile chemical widely used in industrial processes, poses exposure risks through inhalation, ingestion, and skin contact. Environmental contamination, often from industrial activities, emphasizes the importance of robust waste management and monitoring to protect water supplies from potential TBA migration and ensure drinking water safety. This study employed hydrogen peroxide (H2O2): TBA molar ratios of 100, 200, 400, and 500:1 in a Continuous Flow Stirred-Tank Reactor (CSTR) with UV-LED as the TBA degradation mechanism in an Advanced Oxidation Process (AOP). The UV-LEDs and H2O2 were synergistically employed to generate hydroxyl radicals in an advanced oxidation process. Gas chromatography–mass spectrometry (GCMS) was employed for concentration analysis, providing insight into mass ratios, while Density Functional Theory (DFT) was utilized to identify potential reaction byproducts and elucidate TBA degradation pathways. The findings highlight the efficacy of UV-LED and H2O2 synergy in degrading TBA, yet the studied molar ratios exhibit limited impact, achieving a 40% reduction in concentration. The DFT analysis predicted that acetone and 2-methylpropene were likely degradation products during the advanced oxidation process. Diversifying the investigation into various oxidation pathways for TBA is important to gain a comprehensive understanding of its degradation mechanisms. This exploration can contribute valuable insights for optimizing treatment processes and addressing potential challenges associated with TBA removal. To the best of the author's knowledge, this study represents the inaugural application of a blend of experimental observations and DFT to examine the TBA removal process in an AOP.

AFIT Designator

AFIT-ENV-MS-24-M-140

Comments

A 12-month embargo was observed for posting this work on AFIT Scholar.

Distribution Statement A, Approved for Public Release. PA case number on file.

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