Generalized mass action realizations of temperature dependent chemical reaction networks
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Generalized mass action systems are general descriptors in the sense that they are able to capture the structure and dynamic properties of chemical reaction networks even in intracellular environments. It has been shown that several results of chemical reaction network (CRN) theory carry over to the case of generalized mass action kinetics. It is known, however, that the most important properties of CRNs, including their deficiency, reversibility and balancing, are realization-dependent. Using model transformations a method is proposed for embedding the temperature dependent CRN models extended with energy balance into the class of generalized CRNs with positive real exponents. The embedding increases the state variables by two new ones with a nonlinear algebraic equation between them. Applying the tools for finding realizations of CRNs obeying the mass action law for this generalized case, realizations with prescribed properties (weak reversibility, zero deficiency) were searched in a simple case. It was found in this case that the minimum deficiency is 3, and no reversible realizations exists.
KeywordsChemical reaction networks Realizations Dynamic behavior Kinetic phenomena Non-isothermal
The author would like to express gratitude to Prof. Katalin Hangos for her continuous help and useful remarks.
This research is partially supported by the National Research, Development and Innovation Office—NKFIH through Grant No. 115694. A. Magyar was supported by the János Bolyai Research Scholarship of the Hungarian Academy of Sciences.
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