Non-isothermal reaction-diffusion systems with thermodynamically coupled heat and mass transfer

Yasar Demirel

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

Non-isothermal reaction-diffusion (RD) systems control the behavior of many transport and rate processes in physical, chemical, and biological systems. A considerable work has been published on mathematically coupled nonlinear differential equations of RD systems by neglecting the possible thermodynamic couplings among heat and mass fluxes, and reaction velocities. Here, the thermodynamic coupling refers that a flux occurs without its primary thermodynamic driving force, which may be gradient of temperature, or chemical potential, or reaction affinity. This study presents the modeling equations of non-isothermal RD systems with coupled heat and mass fluxes excluding the coupling of chemical reactions using the linear non-equilibrium thermodynamic approach. For a slab catalyst pellet, it shows the dynamic behavior of composition and temperature profiles obtained from the numerical solutions of non-linear partial differential equations by Mathematica for two industrial reaction systems of synthesis of vinyl chloride and dissociation of N 2O.

Original languageEnglish (US)
Pages (from-to)3379-3385
Number of pages7
JournalChemical Engineering Science
Volume61
Issue number10
DOIs
StatePublished - May 1 2006

Fingerprint

Mass transfer
Thermodynamics
Heat transfer
Heat flux
Chemical reactions
Vinyl Chloride
Chemical potential
Biological systems
Partial differential equations
Differential equations
Fluxes
Control systems
Temperature
Catalysts
Chemical analysis

Keywords

  • Chemical reaction
  • Heat and mass transfer
  • Non-equilibrium thermodynamics
  • Thermodynamic coupling

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Industrial and Manufacturing Engineering
  • Applied Mathematics

Cite this

Non-isothermal reaction-diffusion systems with thermodynamically coupled heat and mass transfer. / Demirel, Yasar.

In: Chemical Engineering Science, Vol. 61, No. 10, 01.05.2006, p. 3379-3385.

Research output: Contribution to journalArticle

@article{6cfd383a89da4b59bb5b9a211649cb08,
title = "Non-isothermal reaction-diffusion systems with thermodynamically coupled heat and mass transfer",
abstract = "Non-isothermal reaction-diffusion (RD) systems control the behavior of many transport and rate processes in physical, chemical, and biological systems. A considerable work has been published on mathematically coupled nonlinear differential equations of RD systems by neglecting the possible thermodynamic couplings among heat and mass fluxes, and reaction velocities. Here, the thermodynamic coupling refers that a flux occurs without its primary thermodynamic driving force, which may be gradient of temperature, or chemical potential, or reaction affinity. This study presents the modeling equations of non-isothermal RD systems with coupled heat and mass fluxes excluding the coupling of chemical reactions using the linear non-equilibrium thermodynamic approach. For a slab catalyst pellet, it shows the dynamic behavior of composition and temperature profiles obtained from the numerical solutions of non-linear partial differential equations by Mathematica for two industrial reaction systems of synthesis of vinyl chloride and dissociation of N 2O.",
keywords = "Chemical reaction, Heat and mass transfer, Non-equilibrium thermodynamics, Thermodynamic coupling",
author = "Yasar Demirel",
year = "2006",
month = "5",
day = "1",
doi = "10.1016/j.ces.2005.11.063",
language = "English (US)",
volume = "61",
pages = "3379--3385",
journal = "Chemical Engineering Science",
issn = "0009-2509",
publisher = "Elsevier BV",
number = "10",

}

TY - JOUR

T1 - Non-isothermal reaction-diffusion systems with thermodynamically coupled heat and mass transfer

AU - Demirel, Yasar

PY - 2006/5/1

Y1 - 2006/5/1

N2 - Non-isothermal reaction-diffusion (RD) systems control the behavior of many transport and rate processes in physical, chemical, and biological systems. A considerable work has been published on mathematically coupled nonlinear differential equations of RD systems by neglecting the possible thermodynamic couplings among heat and mass fluxes, and reaction velocities. Here, the thermodynamic coupling refers that a flux occurs without its primary thermodynamic driving force, which may be gradient of temperature, or chemical potential, or reaction affinity. This study presents the modeling equations of non-isothermal RD systems with coupled heat and mass fluxes excluding the coupling of chemical reactions using the linear non-equilibrium thermodynamic approach. For a slab catalyst pellet, it shows the dynamic behavior of composition and temperature profiles obtained from the numerical solutions of non-linear partial differential equations by Mathematica for two industrial reaction systems of synthesis of vinyl chloride and dissociation of N 2O.

AB - Non-isothermal reaction-diffusion (RD) systems control the behavior of many transport and rate processes in physical, chemical, and biological systems. A considerable work has been published on mathematically coupled nonlinear differential equations of RD systems by neglecting the possible thermodynamic couplings among heat and mass fluxes, and reaction velocities. Here, the thermodynamic coupling refers that a flux occurs without its primary thermodynamic driving force, which may be gradient of temperature, or chemical potential, or reaction affinity. This study presents the modeling equations of non-isothermal RD systems with coupled heat and mass fluxes excluding the coupling of chemical reactions using the linear non-equilibrium thermodynamic approach. For a slab catalyst pellet, it shows the dynamic behavior of composition and temperature profiles obtained from the numerical solutions of non-linear partial differential equations by Mathematica for two industrial reaction systems of synthesis of vinyl chloride and dissociation of N 2O.

KW - Chemical reaction

KW - Heat and mass transfer

KW - Non-equilibrium thermodynamics

KW - Thermodynamic coupling

UR - http://www.scopus.com/inward/record.url?scp=33644967924&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33644967924&partnerID=8YFLogxK

U2 - 10.1016/j.ces.2005.11.063

DO - 10.1016/j.ces.2005.11.063

M3 - Article

VL - 61

SP - 3379

EP - 3385

JO - Chemical Engineering Science

JF - Chemical Engineering Science

SN - 0009-2509

IS - 10

ER -