Molecular level analysis on performance of diameter expanding reactor to improve gasoline quality in FCC process

Qin, Xinglong; Liu, Jichang; Wang, Cheng; Ye, Lei; Xing, Baolin; Yu, Wenxin; Xie, Jinquan; Wang, Hangzhou; Ye, Ji; Lu, Diannan

doi:10.1016/j.fuel.2020.119978

Cited by 26 publications

(19 citation statements)

References 35 publications

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“…17−23 Recently, Qin et al built an FCC model and showed that a diameter expanding reactor could enhance the hydrogen transfer and isomerization reactions to reduce the olefin content. 24 Ye et al established a delayed coking model to describe the reaction network and investigate the conversion behavior of sulfides in gasoline. 25,26 However, there were rare reports on the SOL method applied to the diesel hydroupgrading process.…”

Section: Introductionmentioning

confidence: 99%

Reaction Behaviors of Polycyclic Aromatic Hydrocarbon Molecules in a Diesel Hydro-Upgrading Process Based on the Molecular-Level Reaction Kinetic Model

Qin

et al. 2022

Ind. Eng. Chem. Res.

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A molecular-level reaction kinetic model for the diesel hydro-upgrading (DHU) process was established on the basis of the structure-oriented lumping (SOL) method to describe the hydro-upgrading reaction network and investigate the reaction behaviors of polycyclic aromatic hydrocarbon (PAH) molecules. Twenty-two structural increments were selected to construct an 835 row × 23 column feed oil molecular matrix based on the composition analysis. Twenty-eight reaction rules were formulated to deduce molecular reactions according to the hydro-upgrading reaction mechanism. One-hundred ninety-seven structural vectors were used to represent the PAH molecules and 299 structural vectors were used to represent the monocyclic aromatic hydrocarbon (MAH) molecules. The reaction network containing about 24 600 reactions was generated and calculated by MATLAB programming. The reliability of the model was verified by industrial data. The molecular matrix transformation could clearly track the reaction path of the petroleum molecules and reveal the influence of the temperature and the hydrogen partial pressure on PAH molecules in the reaction network. The hydro-upgrading process containing the reactions of aromatic hydrogenation and ring opening reduced the PAH content and increased the cetane number (CN). At a hydrogen partial pressure of 10.0 MPa, the optimal reactor operating temperature range was 304.1−324.1 °C when the diesel yield was required to be larger than 88.0 wt % and the PAH content was less than 5.5 wt % in the refinery.

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Section: Introductionmentioning

confidence: 99%

Reaction Behaviors of Polycyclic Aromatic Hydrocarbon Molecules in a Diesel Hydro-Upgrading Process Based on the Molecular-Level Reaction Kinetic Model

Qin

et al. 2022

Ind. Eng. Chem. Res.

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“…Two decades ago, Christensen et al pioneered the application of the SOL framework to the VGO FCC process, and the model can calculate and predict the fraction yield and molecular distribution of prodcuct 27 . Recently, Qin et al re-used the SOL method to build the molecular-level kinetic model for the heavy oil FCC, and the effect of the riser diameter on the product yield was investigated 28 . Compared with the kinetic model at the pathway level, the mechanistic-level kinetic model can contain more details of the chemical reaction.…”

Section: Introductionmentioning

confidence: 99%

Prediction of Molecular Distribution and Temperature Profile of FCC Process through Molecular-Level Kinetic Modeling

Chen

Wang

Zhao

et al. 2022

Preprint

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This work aims to develop a molecular-level process model framework for simulating the FCC process. The process model consists of the riser, regenerator, and separation models. A complex molecular-level kinetic model, containing 3,652 molecules and 8,202 reactions, was developed for the heavy oil FCC process. The kinetic model was coupled with the riser model, and the model parameter was tuned by a set of systematic experimental data from a pilot-scale plant. After that, a two-zone and two-phase regenerator model was built. The regenerator was combined with the riser model, and the coupled modeling and process simulation for the riser-type FCC unit was developed. The results show that the calculated value of fraction yields and key bulk properties agrees well with the experimental data. Moreover, the molecular distribution of the product and temperature profile was also predicted.

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“…Tian et al combined the SOL method with the Monte Carlo method to simulate the naphtha steam cracking for predicting the light olefin yield. In comparison to the traditional lumping kinetic model, the SOL kinetic model was established in accordance with the reaction mechanism and reaction network, which could explore the transformation route of product molecules at a molecular level. , …”

Section: Introductionmentioning

confidence: 99%

“…In the SOL kinetic model, a matrix was obtained to depict the structures and amount of reactant molecules in the reaction system, and the reaction network was established using the reaction rules. Qin et al 11 constructed a SOL kinetic model for fluid catalytic cracking (FCC) to study the influence of the expanding reactor on the product distribution at the molecular level. A feedstock matrix containing 4539 molecules was obtained to depict the feedstock composition.…”

Section: Introductionmentioning

confidence: 99%

“…In comparison to the traditional lumping kinetic model, the SOL kinetic model was established in accordance with the reaction mechanism and reaction network, which could explore the transformation route of product molecules at a molecular level. 11,13 In this work, the kinetic behavior of naphtha−methanol coupled conversion on a HZSM-5 catalyst is investigated. The composition and content of naphtha were determined by gas chromatography−mass spectrometry (GC−MS, in Figure S1 of the Supporting Information).…”

Section: Introductionmentioning

confidence: 99%

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Reaction Kinetic Model of Naphtha–Methanol Catalytic Conversion for Light Olefins over HZSM-5 Based on Structure-Oriented Lumping

et al. 2021

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To achieve the efficient conversion of naphtha to light olefins at low energy consumption, the naphtha–methanol coupling conversion catalyzed by HZSM-5 was studied at temperatures of 550–700 °C and weight hourly space velocity (WHSV) of 4.6–11.6 h–1. In comparison to the individual naphtha catalytic cracking system, an improved total conversion was achieved from 80.8 to 88.7 wt % with the increase of the light olefin yield from 39.3 to 50.5 wt % in the naphtha–methanol combined system at the WHSV of 4.6 h–1 and 650 °C. The kinetic model of naphtha–methanol coupling conversion was constructed using the structure-oriented lumping (SOL) method, which made up for the deficiencies of traditional lumped models in the study of transformation routes at the molecular level. A total of 41 kinds of molecules were chosen to depict the feedstock, and 64 reaction rules were formulated to establish reaction networks in this model. The proposed SOL kinetic model illustrated that the maximum propylene yield is 28.5 wt % at 650 °C and WHSV of 4.0 h–1, and the maximum ethylene yield is 35.2 wt % at 700 °C and WHSV of 4.0 h–1. The model can predict the product distribution of the naphtha–methanol coupling reaction over HZSM-5 investigated in the fixed-bed reactor reasonably well, with a deviation of less than 1.0%.

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Molecular level analysis on performance of diameter expanding reactor to improve gasoline quality in FCC process

Cited by 26 publications

References 35 publications

Reaction Behaviors of Polycyclic Aromatic Hydrocarbon Molecules in a Diesel Hydro-Upgrading Process Based on the Molecular-Level Reaction Kinetic Model

Reaction Behaviors of Polycyclic Aromatic Hydrocarbon Molecules in a Diesel Hydro-Upgrading Process Based on the Molecular-Level Reaction Kinetic Model

Prediction of Molecular Distribution and Temperature Profile of FCC Process through Molecular-Level Kinetic Modeling

Reaction Kinetic Model of Naphtha–Methanol Catalytic Conversion for Light Olefins over HZSM-5 Based on Structure-Oriented Lumping

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