The combination of transformed and constrained Gibbs energies.
Gibbs free energy is the thermodynamic potential representing the fundamental equation at constant temperature, pressure, and molar amounts. Transformed Gibbs energies are important for biochemical systems because the local concentrations within cell compartments cannot yet be determined accurately. The method of Constrained Gibbs Energies adds kinetic reaction extent limitations to the internal constraints of the system thus extending the range of applicability of equilibrium thermodynamics from predefined constraints to dynamic constraints, e.g., adding time-dependent constraints of irreversible chemical change. In this article, the implementation and use of Transformed Gibbs Energies in the Gibbs energy minimization framework is demonstrated with educational examples. The combined method has the advantage of being able to calculate transient thermodynamic properties during dynamic simulation.
VTT, Technical Research Centre of Finland, Biologinkuja 7, P.O. Box 1000, 02044 Espoo, Finland. Peter.Blomberg@vtt.fi
Peter B A
PB
Blomberg
Pertti S
PS
Koukkari
D000244:Adenosine Diphosphate / Q000737:chemistry; D000255:Adenosine Triphosphate / Q000737:chemistry; D000465:Algorithms; D001669:Biochemical Phenomena; D003198:Computer Simulation; D005636:Fructosephosphates / Q000737:chemistry; D005947:Glucose / Q000737:chemistry; D019298:Glucose-6-Phosphate / Q000737:chemistry; D005958:Glucosephosphates / Q000737:chemistry; D005988:Glyceric Acids / Q000737:chemistry; D006863:Hydrogen-Ion Concentration; D008956:Models, Chemical; D009994:Osmolar Concentration; D010710:Phosphates / Q000737:chemistry; D010728:Phosphoenolpyruvate; D011312:Pressure; D013696:Temperature; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
D005636:Fructosephosphates; D005958:Glucosephosphates; D005988:Glyceric Acids; D010710:Phosphates; D014867:Water; C008885:2-phosphoglycerate; D019298:Glucose-6-Phosphate; D000244:Adenosine Diphosphate; C027618:fructose-6-phosphate; D010728:Phosphoenolpyruvate; D000255:Adenosine Triphosphate; C031590:glucose-1-phosphate; D005947:Glucose