TY - JOUR
T1 - Statistical Method of Deducting Activation Energies for the Steam Methane Reforming Reactions
AU - Nikitin, M. N.
AU - Pashchenko, D.
N1 - Publisher Copyright:
© 2022 World Scientific Publishing Company.
PY - 2022/3/1
Y1 - 2022/3/1
N2 - In this paper, a method of deducting activation energies for heterogeneous reactions of steam methane reforming is presented. The essence of the method lies in iterative evaluation of kinetic parameters, namely activation energies of reactions, for a given reactor. The novelty of the method lies in utilizing a statistical approach to reduce computational effort of numerical simulation. The method produces multivariable correlations between activation energies and operational parameters of the process: pressure, temperature, steam-to-methane ratio, residence time, and catalyst properties. These correlations can be used for numerical simulations of steam methane reforming to yield methane conversion rate, spatial and temporal distribution of reaction products, temperature and pressure within the reactor. An average computational effort is equal to a batch of 18 (3n+1) simulations for n variables. The method was demonstrated by evaluating two-variable correlations of activation energies with pressure and temperature. The developed numerical model was validated against adopted experimental data.
AB - In this paper, a method of deducting activation energies for heterogeneous reactions of steam methane reforming is presented. The essence of the method lies in iterative evaluation of kinetic parameters, namely activation energies of reactions, for a given reactor. The novelty of the method lies in utilizing a statistical approach to reduce computational effort of numerical simulation. The method produces multivariable correlations between activation energies and operational parameters of the process: pressure, temperature, steam-to-methane ratio, residence time, and catalyst properties. These correlations can be used for numerical simulations of steam methane reforming to yield methane conversion rate, spatial and temporal distribution of reaction products, temperature and pressure within the reactor. An average computational effort is equal to a batch of 18 (3n+1) simulations for n variables. The method was demonstrated by evaluating two-variable correlations of activation energies with pressure and temperature. The developed numerical model was validated against adopted experimental data.
KW - Steam methane reforming
KW - activation energy
KW - method
KW - numerical simulation
UR - http://www.scopus.com/inward/record.url?scp=85123927582&partnerID=8YFLogxK
U2 - 10.1142/S2737416522500077
DO - 10.1142/S2737416522500077
M3 - 文章
AN - SCOPUS:85123927582
SN - 2737-4165
VL - 21
SP - 155
EP - 166
JO - Journal of Computational Biophysics and Chemistry
JF - Journal of Computational Biophysics and Chemistry
IS - 2
ER -