Reaction Kinetics, Mechanisms and Catalysis

, Volume 125, Issue 1, pp 245–269 | Cite as

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

  • Lisha Wang
  • Dong Li
  • Feng Han
  • Yonghong Zhu
  • Mingkai Zhang
  • Wenhong Li


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.


Coal-derived naphtha Catalytic reforming Aromatics Lump kinetics Reactor simulation 

List of symbols


Pressure (MPa)


Weighted average intet temperature (°C)


Liquid hourly space velocity (h−1)


Hydrogen–oil volume ratio


Coal-derived naphtha


Response surface methodology


Research octane number


Broyden–Fletcher–Goldfarb–Shanno algorithm









P, O, N, A

Alkanes, olefins, naphthenes, aromatics


The yield of aromatics (wt%)


The liquid yield of C5+ (wt%)


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


The reversible reaction equilibrium constant


The pressure index


The catalyst activity factor


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


The reaction activation energy (kJ mol−1)


The reaction rate constant (h−1)


Reaction temperature (°C)


The reaction rate (kmol h−1)


The molar flow rate (kmol h−1)


Catalyst bulk volume (m3)


Partial pressure of hydrogen (MPa)


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



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).

Supplementary material

11144_2018_1403_MOESM1_ESM.docx (904 kb)
Supplementary material 1 (DOCX 904 kb)


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Copyright information

© Akadémiai Kiadó, Budapest, Hungary 2018

Authors and Affiliations

  • Lisha Wang
    • 1
  • Dong Li
    • 1
  • Feng Han
    • 2
  • Yonghong Zhu
    • 1
  • Mingkai Zhang
    • 3
  • Wenhong Li
    • 1
  1. 1.School of Chemical EngineeringNorthwest UniversityXi’anChina
  2. 2.School of Environmental Science and EngineeringChang’an UniversityXi’anChina
  3. 3.Shaanxi Qianyu Energy Limited CompanyXi’anChina

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