Statistical Design of Experiments Enables Rapid Exploration of Perfluorobutane Sulfonate Degradation

  • Rachel N. Gaines
  • , Jessica A. LaFond
  • , Jenna A. Krawchuck
  • , Nathan R. Bays
  • , Samantha M. Kruse
  • , Jessica N. Kruichak

Research output: Contribution to journalArticlepeer-review

Abstract

The phase-out of long-chain PFAS has led to the proliferation of highly recalcitrant short-chain analogs, and mineralization technologies for these short-chain PFAS are needed to mitigate their deleterious effects on environmental and human health. In this study, we utilize a statistical design of experiments, specifically, response surface methodology, to rapidly evaluate the electrochemical degradation of the short-chain PFAS, perfluorobutane sulfonate (PFBS). We evaluate the impacts of the three primary electrochemical parameters (concentration of PFBS, concentration of supporting electrolyte, and applied current) over multiple orders of magnitude on the three primary reaction outcomes of electrochemical PFBS degradation (incomplete PFBS decomposition, complete PFBS mineralization as fluorine, and anodic energy consumption). Our results correspond with literature and clearly identify the well-known tradeoff between energy consumption and complete mineralization. Intriguingly, partial PFBS decomposition and energy consumption demonstrate nonlinear dependencies in the current/supporting electrolyte concentration space and the current/PFBS concentration space, respectively. These findings highlight the utility of the response surface methodology model to efficiently interrogate a large parameter space, identifying both common results and less-obvious interactions between electrochemical parameters and their influences on reaction outcomes.

Original languageEnglish
Article number012501
JournalECS Advances
Volume4
Issue number1
DOIs
StatePublished - Mar 1 2025
Externally publishedYes

Funding

This work was supported by the Laboratory Directed Research and Development program (project number 233084) at Sandia National Laboratories, a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. This research was also supported in part by an appointment to the Universities Research Association (URA) Summer Fellowship Program at Sandia National Laboratories, sponsored by URA and administered by the Oak Ridge Institute for Science and Education to RNG. Additionally, this material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No. 2140745 to JAL. The authors gratefully thank Mohammed Shohel and Zoe K. Bryant for many helpful discussions, Andrew W. Knight for his vision and support during the work, and Ryan D. Davis and James J. Griebler for their thoughtful comments on the manuscript. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

Keywords

  • PFAS
  • boron-doped diamond
  • electrochemical engineering
  • response surface methodology
  • statistical design of experiments

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