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Modeling the hydrotreatment of full range medium temperature coal tar by using a lumping kinetic approach

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Abstract

The lumping kinetic approach was used to model the hydrotreatment of full-range middle temperature coal tar at various operating conditions. A seven-lump model, which contains 20 constants, was proposed according to the reaction mechanism and a series of assumptions. The kinetic parameters were estimated by means of applying a variable metric method (BFGS). The results were validated by a series of further experiments. The effects of hydrogen partial pressure, LHSV (liquid hourly space velocity, h−1) and bed temperature on the performance of hydrotreatment were also investigated. Comparisons between experimental and calculated data showed good agreement.

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Abbreviations

Mi :

Mass fraction, wt%

t :

Residence time, h

k ij :

Rate constant, h−1

\(p_{{{\text{H}}_{2} }}^{{}}\) :

Initial hydrogen pressure, MPa

LHSV:

Liquid hourly space velocity, h−1

a :

Hydrogen pressure index

b :

LHSV index

k 0 :

M, pre-exponential factor, (hb+1·MPa−a)

E a :

Apparent activation energy, J/mol

T :

Reaction temperature, K

R :

Gas constant, 8.314 J/(mol·K);

VGO:

Lump corresponding to a boiling point range of 350–510 °C

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Acknowledgments

We gratefully acknowledge the financial support of the National Natural Science Foundation of China (21206136), Overall Science and Technology Innovation Project of Shaanxi province (2011KTCL01-15) and Research Fund for the Doctoral Program of Higher Education of China (20126101120013).

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Authors and Affiliations

  1. School of Chemical Engineering, Northwest University, Xi’an, 710069, China

    Jinmeng Sun, Dong Li, Ruiqing Yao, Zhihui Sun, Xuekun Li & Wenhong Li

  2. Shaanxi Research Center of Chemical Engineering Technology for Resource Utilization, Xi’an, 710069, China

    Jinmeng Sun, Dong Li, Ruiqing Yao, Zhihui Sun, Xuekun Li & Wenhong Li

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  1. Jinmeng Sun
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  2. Dong Li
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Correspondence to Wenhong Li.

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Sun, J., Li, D., Yao, R. et al. Modeling the hydrotreatment of full range medium temperature coal tar by using a lumping kinetic approach. Reac Kinet Mech Cat 114, 451–471 (2015). https://doi.org/10.1007/s11144-014-0791-2

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