Bond graph model and Port-Hamiltonian formulation of an enzymatic reaction in a CSTR

This paper proposes a chemical Port-Hamiltonian formulation of a well-mixed CSTR model considering that the chemical reaction is taking place at constant pressure and temperature. More focus is put on chemical reaction network theory and its inclusion in the formulation to achieve synchronization between concentration space and reaction space. It is made clear that Gibbs free energy is an apt Hamiltonian function for such cases. The same concept is applied on a basic enzyme reaction. The Bond Graph models related to Hamiltonian formulation for both types of reactions are given in order to show its ability of pictorial representation and intuitive solution.

[1]  Marisol Delgado,et al.  Use of MATLAB and 20-sim to simulate a flash separator , 1999, Simul. Pract. Theory.

[2]  Denis Dochain,et al.  From Brayton-Moser formulation to Port Hamiltonian representation: the CSTR case study , 2011 .

[3]  Bernhard Maschke,et al.  On the Hamiltonian formulation of the CSTR , 2010, 49th IEEE Conference on Decision and Control (CDC).

[4]  Belkacem Ould Bouamama,et al.  Bond graphs for the diagnosis of chemical processes , 2012, Comput. Chem. Eng..

[5]  Monica Roman,et al.  Bond graph modelling of a wastewater biodegradation bioprocess , 2009, 2009 IEEE International Conference on Automation and Logistics.

[6]  Jean Lévine,et al.  Advances in the Theory of Control, Signals and Systems with Physical Modeling , 2011 .

[7]  George Oster,et al.  Chemical reaction networks , 1974, Applications of Polynomial Systems.

[8]  Bernhard Maschke,et al.  An extension of Hamiltonian systems to the thermodynamic phase space: Towards a geometry of nonreversible processes , 2007 .

[9]  G. Oster,et al.  Chemical reaction dynamics , 1974 .

[10]  József Bokor,et al.  Hamiltonian view on process systems , 2001 .

[11]  Daniel Sbarbaro,et al.  Irreversible port-Hamiltonian systems: A general formulation of irreversible processes with application to the CSTR , 2013 .

[12]  David F. Ollis,et al.  Biochemical Engineering Fundamentals , 1976 .

[13]  R. Ortega Passivity-based control of Euler-Lagrange systems : mechanical, electrical and electromechanical applications , 1998 .

[14]  Romeo Ortega,et al.  Passivity-based Control of Euler-Lagrange Systems , 1998 .

[15]  A. Perelson Network thermodynamics. An overview. , 1975, Biophysical journal.

[16]  K. Hoo,et al.  Bond Graph Modeling of an Integrated Biological Wastewater Treatment System , 2006 .

[17]  Alan S. Perelson,et al.  Chemical reaction dynamics part II: Reaction networks , 1974 .

[18]  Arjan van der Schaft,et al.  Energy-based Lyapunov functions for forced Hamiltonian systems with dissipation , 1998, Proceedings of the 37th IEEE Conference on Decision and Control (Cat. No.98CH36171).

[19]  Denis Dochain,et al.  A geometric perspective to open irreversible thermodynamic systems: GENERIC, Matrix and port-contact systems , 2009, Proceedings of the 48h IEEE Conference on Decision and Control (CDC) held jointly with 2009 28th Chinese Control Conference.

[20]  Romeo Ortega,et al.  Putting energy back in control , 2001 .

[21]  Arjan van der Schaft,et al.  Interconnection and damping assignment passivity-based control of port-controlled Hamiltonian systems , 2002, Autom..

[22]  Denis Dochain,et al.  On an evolution criterion of homogeneous multi-component mixtures with chemical transformation , 2013, Syst. Control. Lett..

[23]  Gábor Szederkényi,et al.  Local dissipative Hamiltonian description of reversible reaction networks , 2008, Syst. Control. Lett..

[24]  Françoise Couenne,et al.  The port Hamiltonian approach to modeling and control of Continuous Stirred Tank Reactors , 2011 .

[25]  Karl Thomaseth,et al.  Multidisciplinary modelling of biomedical systems , 2003, Comput. Methods Programs Biomed..

[26]  Alan S. Perelson,et al.  System Dynamics: A Unified Approach , 1976, IEEE Transactions on Systems, Man, and Cybernetics.

[27]  Mark W. Spong,et al.  Adaptive motion control of rigid robots: a tutorial , 1988, Proceedings of the 27th IEEE Conference on Decision and Control.

[28]  Arjan van der Schaft,et al.  A Port-Hamiltonian Formulation of Open Chemical Reaction Networks , 2010 .