Estimation of Parameters for Nonlinear Least Squares Analysis

Kittrell, J. R.; Mezaki, Reiji; Watson, C. C.

doi:10.1021/ie50672a006

Cited by 58 publications

(28 citation statements)

References 5 publications

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“…To reduce the correlation between the frequency factor and activation energy, reparameterization was applied. 2,[30][31][32] The Arrhenius equation of the rate constant was as follows…”

Section: Estimation Of Kinetic Parametersmentioning

confidence: 99%

Chemical kinetic modeling of i‐butane and n‐butane catalytic cracking reactions over HZSM‐5 zeolite

et al. 2011

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A chemical kinetic model for i‐butane and n‐butane catalytic cracking over synthesized HZSM‐5 zeolite, with SiO2/Al2O3 = 484, and in a plug flow reactor under various operating conditions, has been developed. To estimate the kinetic parameters of catalytic cracking reactions of i‐butane and n‐butane, a lump kinetic model consisting of six reaction steps and five lumped components is proposed. This kinetic model is based on mechanistic aspects of catalytic cracking of paraffins into olefins. Furthermore, our model takes into account the effects of both protolytic and bimolecular mechanisms. The Levenberg–Marquardt algorithm was used to estimate kinetic parameters. Results from statistical F‐tests indicate that the kinetic models and the proposed model predictions are in satisfactory agreement with the experimental data obtained for both paraffin reactants. © 2011 American Institute of Chemical Engineers AIChE J, 58: 2456–2465, 2012

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“…To reduce the correlation between the frequency factor and activation energy, reparameterization was applied. 2,[30][31][32] The Arrhenius equation of the rate constant was as follows…”

Section: Estimation Of Kinetic Parametersmentioning

confidence: 99%

Chemical kinetic modeling of i‐butane and n‐butane catalytic cracking reactions over HZSM‐5 zeolite

et al. 2011

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“…Consequently, the weight factor estimation for the yield objective function is 0.99, whereas that for the end time is 0.01. The kinetic constants have been reparameterized [16,17] in order to reduce the correlation between the estimations of frequency factor and activation energy. Consequently, the parameters calculated are the kinetic constants for a reference temperature (550 • C) and the corresponding activation energies.…”

Section: Modelling Of the Different Kinetic Schemesmentioning

confidence: 99%

Product distribution modelling in the thermal pyrolysis of high density polyethylene

Elordi

López

Olazar

et al. 2007

Journal of Hazardous Materials

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“…The use of this equation will necessitate the inclusion of an equa-tion solving routine, perhaps based upon the Newton-Raphson method, with the nonlinear estimation routine so that the sum of squares of residual conversions may be minimized. Such a procedure of combining nonlinear estimation with other special purpose subroutines has also been discussed in another context (9,10). In our case, however, this nonlinear least squares analysis requires the estimation of only two parameters, rather than the three to six parameters which often must be estimated for Hougen-Watson models.…”

Section: Using a Dependent Variable V ( W / F ) In Equation ( 7 )mentioning

confidence: 99%

Discrimination among rival Hougen‐Watson models through intrinsic parameters

Kittrell

Mezaki

1967

AIChE Journal

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P = pressure, lb.f/sq.fr. Q = heat, B.t.u. R equivalent t = time, sec. T = temperature, OR. V = velocity, ft./sec. W alent z = elevation, ft. p = density, Ib.,/cu.ft. = universal gas constant, B.t.u./(lb.-mole) (OR.) or = work (excluding injection work), ft.1b.f or equiv-Subscripts B = solid blocks GIn attempting to describe rate data from a heteroeneous chemical reaction, the chemical engineer has frequently postulated a set of Hougen-Watson models

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Estimation of Parameters for Nonlinear Least Squares Analysis

Cited by 58 publications

References 5 publications

Chemical kinetic modeling of i‐butane and n‐butane catalytic cracking reactions over HZSM‐5 zeolite

Chemical kinetic modeling of i‐butane and n‐butane catalytic cracking reactions over HZSM‐5 zeolite

Product distribution modelling in the thermal pyrolysis of high density polyethylene

Discrimination among rival Hougen‐Watson models through intrinsic parameters

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