Nonequilibrium thermodynamics and a fluctuation theorem for individual reaction steps in a chemical reaction network

8th STATPHYS-KOLKATA

Pal, Krishnendu^1 ; Das, Biswajit^1 ; Banerjee, Kinshuk^1 ; Gangopadhyay, Gautam^1

S.N. Bose National Centre for Basic Sciences, Salt-Lake, Kolkata

700098, India^1

关键词: Chemical reaction networks;    Dissipation functions;    Elementary reaction;    Fluctuation theorems;    Kullback-Leibler distance;    Non equilibrium thermodynamics;    Non-equilibrium steady state;    Phase space trajectory;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/638/1/012002/pdf
DOI  :  10.1088/1742-6596/638/1/012002

来源: IOP

【 摘 要 】

We have introduced an approach to nonequilibrium thermodynamics of an open chemical reaction network in terms of the propensities of the individual elementary reactions and the corresponding reverse reactions. The method is a microscopic formulation of the dissipation function in terms of the relative entropy or Kullback-Leibler distance which is based on the analogy of phase space trajectory with the path of elementary reactions in a network of chemical process. We have introduced here a fluctuation theorem valid for each opposite pair of elementary reactions which is useful in determining the contribution of each sub-reaction on the nonequilibrium thermodynamics of overall reaction. The methodology is applied to an oligomeric enzyme kinetics at a chemiostatic condition that leads the reaction to a nonequilibrium steady state for which we have estimated how each step of the reaction is energy driven or entropy driven to contribute to the overall reaction.