Coupling between chemical kinetics and mechanics that is both nonlinear and compatible with thermodynamics

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Jan;87(1):012141. doi: 10.1103/PhysRevE.87.012141. Epub 2013 Jan 28.

Abstract

Motivated by biological applications (e.g., bone tissue development and regeneration) we investigate coupling between mesoscopic mechanics and chemical kinetics. Governing equations of both dynamical systems are first written in a form expressing manifestly their compatibility with microscopic mechanics and thermodynamics. The same form is then required from governing equations of the coupled dynamics. The main result of the paper is an admissible form of the coupled dynamics.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Computer Simulation
  • Energy Transfer
  • Kinetics
  • Models, Biological*
  • Models, Chemical*
  • Models, Molecular*
  • Models, Statistical*
  • Nonlinear Dynamics*
  • Thermodynamics*