Study R02
PlannedWater and prefilter selectivity
How does water affect the relative binding of formaldehyde and ethanol on functionalized carbon prefilter models?
- Method
- Density functional theory (DFT) on classical computers
- Summary updated
Why this study
Investigate whether water changes the relative binding of formaldehyde and ethanol. Comparing functionalized and unmodified carbon models would help frame hypotheses for prefilter testing.
Proposed approach
Define functionalized carbon prefilter models and unmodified carbon controls.
Calculate formaldehyde and ethanol binding with and without water using DFT on classical computers.
Compare the binding rankings and test whether they hold as the model and assumptions change.
Intended output
Rank formaldehyde and ethanol binding with and without water, compare with unmodified carbon controls, and test whether the ranking holds as the model and assumptions change.
Binding rankings from molecular models would inform hypotheses for physical testing; they do not establish cartridge performance.
Progress updates
No study progress updates have been published yet.
Related research
Classical preparation connects this work to R04. A limited quantum hardware pilot can begin once its own model and classical comparison are ready, without waiting for the full R02 study.
R04 · Molecular binding on IBM Quantum →
Background reading
Ethanol Interference in Formaldehyde Sensors: What the Evidence Supports →Literature review