The combination of transformed and constrained Gibbs energies

Peter Blomberg (Corresponding Author), Pertti Koukkari

Research output: Contribution to journalArticleScientificpeer-review

6 Citations (Scopus)

Abstract

Gibbs free energy is the thermodynamic potential representing the fundamental equation at constant temperature, pressure, and molar amounts. Transformed Gibbs energies are important for biochemical systems because the local concentrations within cell compartments cannot yet be determined accurately. The method of Constrained Gibbs Energies adds kinetic reaction extent limitations to the internal constraints of the system thus extending the range of applicability of equilibrium thermodynamics from predefined constraints to dynamic constraints, e.g., adding time-dependent constraints of irreversible chemical change. In this article, the implementation and use of Transformed Gibbs Energies in the Gibbs energy minimization framework is demonstrated with educational examples. The combined method has the advantage of being able to calculate transient thermodynamic properties during dynamic simulation.
Original languageEnglish
Pages (from-to)81 - 88
Number of pages8
JournalMathematical Biosciences
Volume220
Issue number2
DOIs
Publication statusPublished - 2009
MoE publication typeA1 Journal article-refereed

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Gibbs free energy
Thermodynamics
thermodynamics
energy
Energy
Reaction Kinetics
Thermodynamic Equilibrium
reaction kinetics
Energy Minimization
Combined Method
Thermodynamic Properties
Kinetic energy
Dynamic Simulation
Pressure
Free Energy
Temperature
Reaction kinetics
Internal
Calculate
Thermodynamic properties

Keywords

  • Transformed Gibbs energy
  • Constrained Gibbs energy
  • Biochemical thermodynamics
  • Gibbs energy minimization
  • Legendre transform

Cite this

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title = "The combination of transformed and constrained Gibbs energies",
abstract = "Gibbs free energy is the thermodynamic potential representing the fundamental equation at constant temperature, pressure, and molar amounts. Transformed Gibbs energies are important for biochemical systems because the local concentrations within cell compartments cannot yet be determined accurately. The method of Constrained Gibbs Energies adds kinetic reaction extent limitations to the internal constraints of the system thus extending the range of applicability of equilibrium thermodynamics from predefined constraints to dynamic constraints, e.g., adding time-dependent constraints of irreversible chemical change. In this article, the implementation and use of Transformed Gibbs Energies in the Gibbs energy minimization framework is demonstrated with educational examples. The combined method has the advantage of being able to calculate transient thermodynamic properties during dynamic simulation.",
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The combination of transformed and constrained Gibbs energies. / Blomberg, Peter (Corresponding Author); Koukkari, Pertti.

In: Mathematical Biosciences, Vol. 220, No. 2, 2009, p. 81 - 88.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - The combination of transformed and constrained Gibbs energies

AU - Blomberg, Peter

AU - Koukkari, Pertti

PY - 2009

Y1 - 2009

N2 - Gibbs free energy is the thermodynamic potential representing the fundamental equation at constant temperature, pressure, and molar amounts. Transformed Gibbs energies are important for biochemical systems because the local concentrations within cell compartments cannot yet be determined accurately. The method of Constrained Gibbs Energies adds kinetic reaction extent limitations to the internal constraints of the system thus extending the range of applicability of equilibrium thermodynamics from predefined constraints to dynamic constraints, e.g., adding time-dependent constraints of irreversible chemical change. In this article, the implementation and use of Transformed Gibbs Energies in the Gibbs energy minimization framework is demonstrated with educational examples. The combined method has the advantage of being able to calculate transient thermodynamic properties during dynamic simulation.

AB - Gibbs free energy is the thermodynamic potential representing the fundamental equation at constant temperature, pressure, and molar amounts. Transformed Gibbs energies are important for biochemical systems because the local concentrations within cell compartments cannot yet be determined accurately. The method of Constrained Gibbs Energies adds kinetic reaction extent limitations to the internal constraints of the system thus extending the range of applicability of equilibrium thermodynamics from predefined constraints to dynamic constraints, e.g., adding time-dependent constraints of irreversible chemical change. In this article, the implementation and use of Transformed Gibbs Energies in the Gibbs energy minimization framework is demonstrated with educational examples. The combined method has the advantage of being able to calculate transient thermodynamic properties during dynamic simulation.

KW - Transformed Gibbs energy

KW - Constrained Gibbs energy

KW - Biochemical thermodynamics

KW - Gibbs energy minimization

KW - Legendre transform

U2 - 10.1016/j.mbs.2009.04.004

DO - 10.1016/j.mbs.2009.04.004

M3 - Article

VL - 220

SP - 81

EP - 88

JO - Mathematical Biosciences

JF - Mathematical Biosciences

SN - 0025-5564

IS - 2

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