基于官能团的方法（包含催化剂特性）为多种碳氢化合物混合物的催化热解建模

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel Pub Date : 2024-11-13 DOI:10.1016/j.fuel.2024.133531

Dongyang Liu, Haiping He, Duo Li, Liang Zhao, Jinsen Gao, Chunming Xu

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引用次数: 0

摘要

石脑油的成分错综复杂，这给制定轻烯烃生产的综合建模方法带来了巨大挑战。本研究根据官能团的重量百分比来描述原料的复杂组成。同时，利用热解产物的化学计量系数（SC）来描述热解产物的分布变化。因此，通过建立官能团组成与热解产物 SCs 之间的定量相关性，提出了一种基于官能团的方法，用于模拟 ZSM-5 型催化剂催化热解多种烃类混合物的过程。此外，还开发了一种基于官能团的综合方法，通过将催化剂的酸度与热解产物的 SCs 相关联来整合催化剂的特性。这种建模方法可以精确预测各种原料和催化剂系统的产品成分，最大误差为 1.15 wt%。此外，这种建模方法还可用于优化原料混合物和定制酸特性，以最大限度地提高轻质烯烃的产量，从而凸显其在各种碳氢化合物混合物中的应用潜力。

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A functional group-based approach containing catalyst properties to modeling catalytic pyrolysis of multiple hydrocarbon mixtures

The intricate composition of naphtha poses a significant challenge in formulating a comprehensive modeling approach for the production of light olefins. In this study, the intricate composition of the feedstock was described based on the weight percentage of the functional groups. At the same time, the distribution variations of the pyrolysis products were characterized using their stoichiometric coefficients (SCs). Consequently, a functional group-based approach was proposed to model the catalytic pyrolysis of multiple hydrocarbon mixtures over ZSM-5 based catalysts by establishing a quantitative correlation between the composition of the functional groups and the SCs of the pyrolysis products. Furthermore, a comprehensive functional group-based approach was developed to integrate catalyst properties by relating their acidity to the SCs of pyrolysis products. This modeling approach allows for precise forecasting of product compositions across a range of feedstocks and catalyst systems, with a maximum error of 1.15 wt%. In addition, this modeling method can also be used to optimize feedstock blends and tailor acid properties to maximize light olefin production, highlighting its potential for use in various hydrocarbon mixtures.

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来源期刊

Fuel 工程技术-工程：化工

CiteScore

12.80

自引率

20.30%

发文量

3506

审稿时长

64 days

期刊介绍： The exploration of energy sources remains a critical matter of study. For the past nine decades, fuel has consistently held the forefront in primary research efforts within the field of energy science. This area of investigation encompasses a wide range of subjects, with a particular emphasis on emerging concerns like environmental factors and pollution.