Research on Catalyst Design and Reaction Mechanism for Multi-Heteroatom Synergistic Removal in Coal Tar Hydrotreating

WANG Xinru; WANG Hongyan; QIAO Xiaoyu; WANG Zhen; CAO Jingpei

doi:10.11949/0438-1157.20260534

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Research on Catalyst Design and Reaction Mechanism for Multi-Heteroatom Synergistic Removal in Coal Tar Hydrotreating

更新时间：2026-07-10

- Research on Catalyst Design and Reaction Mechanism for Multi-Heteroatom Synergistic Removal in Coal Tar Hydrotreating
- CIESC Journal (2026)
- 作者机构：
  
  1.中国矿业大学江苏省碳资源清洁利用重点实验室，BM2024007，江苏徐州
  2.江苏省煤基温室气体减排与资源化利用重点实验室，江苏徐州 221116
  3.炼焦煤资源绿色开发全国重点实验室，江苏徐州 221116
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20260534
  CLC： TQ522.63;TQ426.95
- Received：14 April 2026，
  
  Revised：2026-07-09，
  
  Accepted：10 July 2026，
- 稿件说明：
移动端阅览
WANG Xinru, WANG Hongyan, QIAO Xiaoyu, et al. Research on Catalyst Design and Reaction Mechanism for Multi-Heteroatom Synergistic Removal in Coal Tar Hydrotreating[J/OL]. CIESC Journal, 2026.
DOI：

WANG Xinru, WANG Hongyan, QIAO Xiaoyu, et al. Research on Catalyst Design and Reaction Mechanism for Multi-Heteroatom Synergistic Removal in Coal Tar Hydrotreating[J/OL]. CIESC Journal, 2026. DOI： 10.11949/0438-1157.20260534.

摘要

煤焦油作为煤热解、干馏和焦化的重要副产物，其加氢脱杂是实现煤炭资源清洁高值化利用的核心路径。针对煤焦油中氧、氮、硫多杂原子难以高效脱除的关键难题，理清催化剂构效关系与反应机理是设计高效加氢脱杂催化剂的核心。本文以模型化合物机理研究为基础，系统总结了加氢脱氧（HDO）、加氢脱硫（HDS）与加氢脱氮（HDN）的反应路径及催化剂设计策略，重点阐释了活性位点结构、电子特性与酸性分布对反应活性与选择性的调控机制。在此基础上，通过分析真实煤焦油体系中多杂原子竞争吸附与相互抑制的内在规律，归纳了由双杂原子脱除向多杂原子协同脱除演进的催化剂设计方法。其中，高分散活性金属、适度缺电子态及优化的金属–载体相互作用是实现氮硫协同脱除的关键，而非金属助剂的引入可有效匹配氧、氮、硫杂原子对活性位点的差异化需求。最后，针对当前机理认知不足与工业适配性欠佳等问题，对煤焦油体系杂原子协同脱除催化剂的发展方向进行了展望。

Abstract

Coal tar

a major byproduct of coal pyrolysis

carbonization and coking

has hydrotreating for heteroatom removal as a core pathway for the clean and high-value utilization of coal resources. To address the key challenge of efficiently removing multiple heteroatoms (oxygen

nitrogen

and sulfur) from coal tar

elucidating the structure-activity relationships and reaction mechanisms of catalysts is essential for designing efficient hydrotreating catalysts. Based on model compound studies

this review systematically summarizes the reaction pathways and catalyst design principles for hydrodeoxygenation (HDO)

hydrodesulfurization (HDS)

and hydrodenitrogenation (HDN)

with a focus on the regulatory effects of active site geometry

electronic properties

and acidity distribution on catalytic activity and selectivity. On this basis

by analyzing the intrinsic mechanisms of competitive adsorption and mutual inhibition among multiple heteroatoms in real coal tar systems

catalyst design approaches progressing from dual-heteroatom removal to multi-heteroatom synergistic removal are summarized. Highly dispersed active metals

moderate electron deficiency

and optimized metal-support interactions are identified as key factors for achieving synergistic removal of nitrogen and sulfur

while the introduction of non-metal promoters effectively reconciles the disparate active site requirements for oxygen

nitrogen

and sulfur removal. Finally

future directions for the development of synergistic heteroatom removal catalysts for coal tar systems are proposed

addressing current challenges such as insufficient mechanistic understanding and poor industrial applicability.

关键词

Keywords

references

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