ORCID

0000-0003-4447-0648

Keywords

Green sorption media, Emerging contaminants, PFAS, Nanofiltration, Molecular Dynamics, DFT

Abstract

Per- and polyfluoroalkyl substances (PFAS) are a class of persistent environmental contaminants that pose significant risks to human health and aquatic ecosystems. This dissertation addresses the removal of both long- and short-chain PFAS from surface water through an integrated approach that combines green sorption media (GSM) with nanofiltration (NF). The research comprises laboratory-scale and field-scale studies designed to evaluate the effectiveness of novel recycled-material-based GSM formulations—namely, CPS and ZIPGEM—as pretreatment options to mitigate membrane fouling and enhance PFAS removal during NF. The study also investigates the adsorption mechanisms under varying water chemistry conditions, including pH, ammonia, and divalent cation concentrations.

In Chapter 3, the performance of GSM–NF hybrid systems are compared to NF alone using canal water fortified with PFAS. Results show that GSM pretreatment significantly improves NF performance by reducing fouling and enhancing removal efficiency, particularly for long- chain PFAS. Chapter 4 extends the study to a field-scale filtration setup, evaluating the seasonal and chemical variability of influent water and their impacts on adsorbent performance. In Chapter 5, a novel biochar-integrated GSM (BIPGEM) is developed, demonstrating improved adsorption capacity and durability. Chapter 6 introduces a quantum virtual laboratory (QVL) framework employing density functional theory (DFT) and ab initio molecular dynamics (AIMD) to investigate the photocatalytic degradation of PFAS on semiconductor heterostructures. Theoretical simulations identify h-BN/ZrO₂ as a promising catalyst, and

mechanistic insights into defluorination pathways are supported by energy landscape modeling and HOMO–LUMO analyses.

Overall, this research advances the understanding of hybrid treatment systems for PFAS removal and establishes a computational-experimental framework for evaluating degradation pathways. The findings offer scalable, cost-effective, and sustainable solutions for addressing one of the most challenging classes of emerging contaminants.

Completion Date

2025

Semester

Fall

Committee Chair

Sadmani, A H M Anwar

Degree

Doctor of Philosophy (Ph.D.)

College

College of Engineering and Computer Science

Department

Civil, Environmental, and Construction Engineering

Identifier

DP0029819

Document Type

Thesis

Campus Location

Orlando (Main) Campus

Download

Share

COinS