Computational multiple steady states for enzymatic esterification of ethanol and oleic acid in an isothermal CSTR

Biosystems. 2005 May;80(2):133-43. doi: 10.1016/j.biosystems.2004.11.001. Epub 2004 Dec 8.

Abstract

The capacity of complex biochemical reaction networks (consisting of 11 coupled non-linear ordinary differential equations) to show multiple steady states, was investigated. The system involved esterification of ethanol and oleic acid by lipase in an isothermal continuous stirred tank reactor (CSTR). The Deficiency One Algorithm and the Subnetwork Analysis were applied to determine the steady state multiplicity. A set of rate constants and two corresponding steady states are computed. The phenomena of bistability, hysteresis and bifurcation are discussed. Moreover, the capacity of steady state multiplicity is extended to the family of the studied reaction networks.

Publication types

  • Evaluation Study

MeSH terms

  • Combinatorial Chemistry Techniques / methods*
  • Computer Simulation
  • Esterification
  • Ethanol / chemistry*
  • Kinetics
  • Lipase / chemistry*
  • Models, Chemical*
  • Oleic Acid / chemistry*
  • Temperature

Substances

  • Oleic Acid
  • Ethanol
  • Lipase