SUPPLEMENTARY MATERIAL Thermodynamically Consistent Model Calibration in Chemical Kinetics
نویسندگان
چکیده
Thermodynamic Constraints Finite set of thermodynamic conditions We show that, if the Wegscheider conditions are satisfied forM2 = M0 −M1 basis vectors {b(i), i = 1, 2, . . . ,M2} of the null space of S0, whereM0 is the total number of (reversible) reactions in a closed biochemical reaction system with stoichiometry matrix S0 and M1 = rank(S0), then they will also be satisfied for all b ∈ null(S0). Note that, for any b ∈ null(S0), we have that
منابع مشابه
Investigation of Thermodynamic Consistency Test of Carbon Dioxide (CO2) in Room-Temperature Ionic liquids using Generic van der Waals Equation of State
Thermodynamic consistency test of isothermal vapor-liquid equilibrium (VLE) data of various binary systems containing Carbon dioxide (CO2)/Room temperature ionic liquids (RTILs) have been investigated in wide ranges of pressures in each isotherm precisely. In this paper Generic van der Waals (GvdW) equation of state (EoS) coupled with modified van der Waals Berthelot mixing rule has ...
متن کاملMethod of invariant manifold for chemical kinetics
In this paper, we review the construction of low-dimensional manifolds of reduced description for equations of chemical kinetics from the standpoint of the method of invariant manifold (MIM). MIM is based on a formulation of the condition of invariance as an equation, and its solution by Newton iterations. A review of existing alternative methods is extended by a thermodynamically consistent ve...
متن کاملPhenol Biodegradation Kinetics in the Presence of Supplimentary Substrate
Biodegradation of phenol in the presence of glucose as a supplementary substrate was investigated with mixed microbial consortium isolated from waste effluent of coke-steel factory. Batch experiments were carried out at room temperature and pH value of 7. Initial phenol and glucose concentrations were in the range of 25-1000 mg/l and 500-3000 mg/l, respectively. In a dual substrates system the ...
متن کاملProperties of Random Complex Chemical Reaction Networks and Their Relevance to Biological Toy Models
We investigate the properties of large random conservative chemical reaction networks composed of elementary reactions endowed with either mass-action or saturating kinetics, assigning kinetic parameters in a thermodynamically-consistent manner. We find that such complex networks exhibit qualitatively similar behavior when fed with external nutrient flux. The nutrient is preferentially transfor...
متن کاملKinetics and Isotherm Studies of the Immobilized Lipase on Chitosan Support
The kinetics and isotherm studies of the immobilized lipase and the mechanism of immobilization on chitosan beads and activated chitosan beads with glutaraldehyde were investigated. The effect of glutaraldehyde on porosity of chitosan was evaluated by FESEM analysis. It was observed that the porosity of the carrier which has activated by glutaraldehyde was substantially increased. The validity ...
متن کامل