Research
My research focuses on developing a mechanistic understanding of the adsorption and desorption mechanism of fluorinated pesticides onto soil surfaces. I combine DFT ab-initio computation with ATR-FTIR in-situ microfluidic thin-film experimentation to understand the conformations, energies and rates of sorption of each complex.
Core Chemicals
[Core Chemical 1]
![[Core chemical 2 structure]](images/core-chemical-2.svg)
[Core Chemical 2]
![[Core chemical 3 structure]](images/core-chemical-3.svg)
[Core Chemical 3]
Interactions Studied With
Complementary Chemicals
![[Complementary chemical 1 structure]](images/complementary-chemical-1.svg)
[Chemical A]
![[Complementary chemical 2 structure]](images/complementary-chemical-2.svg)
[Chemical B]
![[Complementary chemical 3 structure]](images/complementary-chemical-3.svg)
[Chemical C]
![[Complementary chemical 4 structure]](images/complementary-chemical-4.svg)
[Chemical D]
![[Complementary chemical 5 structure]](images/complementary-chemical-5.svg)
[Chemical E]
Instrumentation and Programs
ATR-FTIR, Profilometer, NMR, XPS, LC-MS
Gaussian, VASP, Quantum Espresso (TACC), Opus, ORCA, Chimera, Avogadro, MATLAB
Related Autodidactic Resources (Read or Currently Reading)
Analytical Chemistry: Fundamentals of Analytical Chemistry (Skoog), Principles of Instrumental Analysis,
Organic Chemistry: Modern Physical Organic Chemistry, Advanced Organic Chemistry (Carey), Environmental Organic Chemistry
Physical Chemistry: Physical Chemistry (McQuarrie), Quantum Chemistry (Levine), Introduction to the Thermodynamics of Materials, Statistical Mechanics, Chemical Applications of Group Theory
Future Research Goals
Degradation and transformation of selected pollutants
Deeper study into quantum chemistry and chemical physics, mathematical methods