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Experimental optimization and reactor simulation of coal-derived naphtha reforming over Pt–Re/γ-Al2O3 using design of experiment and response surface methodology

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Abstract

In this study, the effects of different process parameters on the yield of aromatics (YA) and the yield of C5+ (YC5+) were studied through catalytic reforming experiments of coal-derived naphtha (CDN). First, the optimum process parameters of CDN catalytic reforming were weighted average inlet temperature (WAIT) for (500–520 °C), pressure (P) for (1.2–1.6 MPa), liquid hourly space velocity (LHSV) for (2.0–3.0 h−1), hydrogen–oil volume ratio (VH/VO) for (600:1). The optimum conditions were WAIT 516 °C, P 1.4 MPa, LHSV 2.3 h−1 and the predicted value of YA was 79.81%. The effect of each factor on YA was presented as follows: P > LHSV > WAIT. Compared to the catalytic reforming of petroleum-based naphtha, CDN catalytic reforming not only achieves higher YC5+ while achieving higher YA, but also obtains higher yield of benzene–toluene–xylene (YBTX, 60%). Second, the 17-lumped kinetic model of CDN semi-regenerative catalytic reforming reactor was established, and the model parameters of kinetic model were estimated and validated by Broyden–Fletcher–Goldfarb–Shanno algorithm. The results show that the simulation model is accurate, reliable and has good predictive ability. Third, the change regulation of reactants and temperature in the reforming reactor along the catalyst bed were simulated by using the 17-lumped kinetic model under specific operating conditions.

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Abbreviations

P :

Pressure (MPa)

WAIT :

Weighted average intet temperature (°C)

LHSV :

Liquid hourly space velocity (h−1)

V H/V O :

Hydrogen–oil volume ratio

CDN:

Coal-derived naphtha

RSM:

Response surface methodology

RON:

Research octane number

BFGS:

Broyden–Fletcher–Goldfarb–Shanno algorithm

BTX:

Benzene–toluene–xylene

B:

Benzene

T:

Toluene

X:

Xylene

P, O, N, A:

Alkanes, olefins, naphthenes, aromatics

Y A :

The yield of aromatics (wt%)

YC5+ :

The liquid yield of C5+ (wt%)

Y BTX :

The total yield of benzene–toluene–xylene (wt%)

K ep :

The reversible reaction equilibrium constant

b :

The pressure index

φ :

The catalyst activity factor

k 0 :

The reaction frequency factor (h−1 MPa−b)

E :

The reaction activation energy (kJ mol−1)

K :

The reaction rate constant (h−1)

T :

Reaction temperature (°C)

r :

The reaction rate (kmol h−1)

F :

The molar flow rate (kmol h−1)

V c :

Catalyst bulk volume (m3)

P H :

Partial pressure of hydrogen (MPa)

C p :

Constant pressure specific heat capacity [kJ (kmol K)−1]

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Acknowledgements

The financial supports of this work are provided by the National Natural Science Foundation of China (21646009), Shaanxi Province Science and Technology Co-ordination Innovation Project Planned Program (2014KTCL01-09), Shaanxi Province Department of Education Industrialization Training Project (14JF026, 15JF031), and Young Science and Technology Star Project of Shaanxi Province (2016KJXX-32).

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Authors and Affiliations

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

    Lisha Wang, Dong Li, Yonghong Zhu & Wenhong Li

  2. School of Environmental Science and Engineering, Chang’an University, Xi’an, 710069, China

    Feng Han

  3. Shaanxi Qianyu Energy Limited Company, Xi’an, 710065, China

    Mingkai Zhang

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  1. Lisha Wang
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  2. Dong Li
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Correspondence to Dong Li.

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Wang, L., Li, D., Han, F. et al. Experimental optimization and reactor simulation of coal-derived naphtha reforming over Pt–Re/γ-Al2O3 using design of experiment and response surface methodology. Reac Kinet Mech Cat 125, 245–269 (2018). https://doi.org/10.1007/s11144-018-1403-3

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