title: Expanded thermodynamic true yield prediction model: adjustments and limitations.
abstract: Bacterial yield prediction is critical for bioprocess optimization and modeling of natural biological systems. In previous work, an expanded thermodynamic true yield prediction model was developed through incorporating carbon balance and nitrogen balance along with electron balance and energy balance. In the present work, the application of the expanded model is demonstrated in multiple growth situations (aerobic heterotrophs, anoxic, anaerobic heterotrophs, and autolithotrophs). Two adjustments are presented that enable improved prediction when additional information regarding the environmental conditions (pH) or degradation pathway (requirement for oxygenase- or oxidase-catalyzed reactions) is known. A large data set of reported yields is presented and considered for suitability in model validation. Significant uncertainties of literature-reported yield values are described. Evaluation of the model with experimental yield values shows good predictive ability. However, the wide range in reported yields and the variability introduced into the prediction by uncertainty in model parameters, limits comprehensive validation. Our results suggest that the uncertainty of the experimental data used for validation limits further improvement of thermodynamic prediction models.
authors.affiliation: Department of Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, PA 15213-3890, USA.
authors.forename: Jinghua
authors.initials: J
authors.lastname: Xiao
authors.forename: Jeanne M
authors.initials: JM
authors.lastname: VanBriesen
mesh_terms: D001420:Bacteria, Aerobic / Q000378:metabolism*; D018533:Biomass; D006863:Hydrogen-Ion Concentration; D008433:Mathematics; D008956:Models, Chemical; D013816:Thermodynamics; D035501:Uncertainty