Bringing Field to the Lab: An <i>In Silico</i> Analysis of Oxygen Production in Aquatic Plants

Aquatic plants are key contributors to oxygen production and ecosystem stability. This study quantifies oxygen generation capacity of <i>Hydrilla, Vallisneria</i>, and <i>Potamogeton</i> under varying concentrations of potassium bicarbonate (KHCO₃) using a dual-limb apparatus to measure oxygen output via water displacement. The experiment was complemented by gas chromatography-thermal conductivity detector (GC-TCD) analysis and numerical simulations to validate the results. An <i>in silico</i> diffusion model was developed to simulate oxygen release dynamics assuming uniform oxygen generation across plant surfaces and steady-state mass transport through the surrounding medium. The findings indicate that KHCO₃ significantly enhances photosynthetic activity and oxygen production, with <i>Hydrilla</i> exhibiting the highest oxygen generation rate, followed by <i>Potamogeton</i> and <i>Vallisneria</i>. The optimal concentration of KHCO₃ was determined to be 5 mg/mL, beyond which oxygen production declined due to osmotic stress and ionic imbalances. GC-TCD analysis confirmed oxygen (∼90%) as the primary gas produced, while simulated results closely aligned with the experimental data, reinforcing the robustness of the <i>in silico</i> analysis. This study highlights the role of bicarbonate ions in enhancing carbon availability for aquatic photosynthesis, thereby optimizing oxygen generation rate. The experimental methodology coupled with a numerical framework based on spatial diffusion model, as discussed in this endeavor, is novel in estimating oxygen generation rate from whole-plant in a closed system, enabling reproducible scaling for state-of-the-art environmental technologies. The insights gained from this <i>in silico</i> endeavor are expected to have broad implications for wastewater treatment (enhancing aerobic biodegradation), aquaculture (maintaining high dissolved oxygen), and carbon capture (biomass-based CO₂ sequestration). Future research could focus on the exploration of long-term physiological effects of KHCO₃ supplementation on oxygen generation and improvisation of modeling framework to incorporate biological feedback mechanisms into the underlying analysis.