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Kinetic study of selective propane oxidation to acrylic acid over Mo1V0.3Te0.23Nb0.12Ox using the genetic algorithm

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Abstract

The kinetics of selective propane oxidation to acrylic acid over Mo1V0.3Te0.23Nb0.12Ox was investigated using the experimental data of a micro catalytic fixed bed reactor. Experimental data were obtained under different operating conditions (T = 380–490 °C, GHSV = 50, 33.3 ml (min gcat)−1, (O2)/(C3H8) = 1, 2, 3 and (steam)/(C3H8) = 5, 7.5). Power law, Eley–Rideal and Mars–Van Krevelen models for the prediction the catalytic performance were employed using the genetic algorithm. The reaction orders obtained by the power law model determined that the propane oxidation is dependent on the gas phase oxygen concentration. The Eley–Rideal model, in which surface oxygen is in equilibrium with the gas phase, could not predict this dependency on oxygen concentration. So, it was proposed that selective oxidation of propane over this catalyst follows the Mars–Van Krevelen mechanism. Kinetic analysis allowed determination the critical role of water in the catalyst-reaction system. The absence of water in the reaction feed induces some structural defects which decreases propane activation.

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Abbreviations

AA:

Acrylic acid

a, b, c, d, e, f, m:

Kinetic parameters fitting by genetic algorithm

[A]:

Concentration of A (mol m−3)

E:

Activation energy, kinetic parameters for model fitting by genetic algorithm (J mol−1)

ΔHads :

Adsorption energy, kinetic parameters for model fitting by genetic algorithm (J mol−1)

k01, k1 :

Frequency factor and rate constant respectively, for power law model [mol(1−(a+b+m)) (m3)(a+b+m) g −1 cat min−1] when (steam effect) is [H2O]m

k01, k1 :

Frequency factor and rate constant respectively for MVK and ER models (mol g −1 cat min−1 Pa−(a+1))

k02, k2 :

Frequency factor and rate constant respectively for power law model [mol(1−(c+d)) (m3)(c+d) gr −1 cat min−1]

k03, k3 :

Frequency factor and rate constant respectively for power law model [mol(1−(e+f)) (m3)(e+f) g −1 cat min−1]

k02, k2, k03, k3, k04, k4 :

Frequency factor and rate constant respectively for MVK and ER models (mol g −1 cat min−1 Pa−1)

Kads, K0,ads :

Adsorption constant (Pa−1)

P:

Pressure (Pa)

P value:

Value statistical parameters

R:

Universal constant of gases (J mol−1 K−1)

r :

Rate of reaction (mol g −1 cat min−1)

s:

Adsorbed piece on catalyst surface

T:

Temperature (K)

w:

Weight of catalyst (g)

Y:

Conversion and selectivity of components (%)

τ:

Total volumetric flow rate (m3 min−1)

θo :

Fractional coverage of lattice oxygen

β:

Degree of surface catalyst reduction

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Authors and Affiliations

  1. Reaction Engineering Lab., Chemical Engineering Department, Iran University of Science and Technology, Tehran, Iran

    Golshan Mazloom & Seyed Mehdi Alavi

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  1. Golshan Mazloom
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  2. Seyed Mehdi Alavi
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Correspondence to Seyed Mehdi Alavi.

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Mazloom, G., Alavi, S.M. Kinetic study of selective propane oxidation to acrylic acid over Mo1V0.3Te0.23Nb0.12Ox using the genetic algorithm. Reac Kinet Mech Cat 110, 387–403 (2013). https://doi.org/10.1007/s11144-013-0607-9

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