Hydrogen gas is a clean-burning fuel suitable for powering public vehicles. Hydrogen fuel has the highest energy density (143 MJ kg −1 ). This research paper emphasizes three-dimensional hydrodynamics and temperature distribution during photobiohydrogen generation by Rhodobacter sphaeroides strain O.U.001 in a triple-jacketed 1 L photobioreactor (PBR). The fermentation broth has turbulent flow conditions and light gradients among various layers, which affect the light conversion efficiency of the PBR. From the carbon source (malic acid), various organic acids are produced within fermentation (lactate, acetate, and formate). Modeling and simulation studies by computational fluid dynamics confirmed uniform fluid dynamics and heat transfer throughout the annular PBR. The modified Gompertz equation gave good simulated fitting with an experimental value for H 2 generation. R. sphaeroides O.U. 001 gave good simulated results for H 2 generation with mathematical modeling of substrate consumption kinetics and substrate utilization for biomass.
K E Y W O R D Scomputational fluid dynamics simulation of hydrodynamics, kinetics of H 2 generation, optimization of photosynthetic H 2 formation, particle tracing, Rhodobacter sphaeroides O.U.001Abbreviations: CCD, central composite design; CFD, computational fluid dynamics; LH-I, light harvesting-I antenna complex; PBR, photobioreactor; PNS, purple nonsulfur; RC, reaction center; S/V, ratio of surface area and volume; VFAs, volatile fatty acids; dX/dt, rate of change of cell dry mass concentration, (g L −1 h −1 ); n, order of reaction; r, extent of the fit; R 2 , coefficient of determination value; R H2 , rate of H 2 generation, (mL H 2 /L/h); t, time (h); W, Watt; X, cell dry mass concentration, (g L −1 ); Y H2 , Yield of H 2 generation, (mol H 2 /mol substrate); ∆G 0 ′ , Gibb's free energy (kJ mol −1 ); λ, lag time obtained from modified Gompertz model (h); μ, specific growth rate (h −1 )