Co-pyrolysis of polyurethane and biomass: Piperidine derivative production and nitrogen mechanism modulation by flame retardants

文献类型： 外文期刊

第一作者： Ni, Yu

作者： Ni, Yu;Bi, Dongmei;Yan, Shuangshuang;Wang, Hui;Liu, Shanjian;Dong, Chunwang

作者机构：

关键词： Pyrolysis oil; Polyurethane foam; Biomass; Flame retardant; Nitrogen-containing compounds; DFT

期刊名称：CHEMICAL ENGINEERING JOURNAL （ 影响因子：13.2； 五年影响因子：13.5 ）

ISSN： 1385-8947

年卷期： 2025 年 515 卷

页码：

收录情况： SCI

摘要： Flame retardants are important additives in polyurethane (PU) products, but their effects on the formation mechanisms and pyrolysis kinetics of co-pyrolysis products from PU and biomass remain unclear. This paper investigated the effect of melamine-based flame retardant halogen-free (FR-307) on the co-pyrolysis behavior of PU and wheat straw (WS) using thermogravimetric-Fourier transform infrared spectroscopy and quantum chemical calculations. The results indicated that the presence of flame retardant lowered the pyrolysis temperature range by approximately 15 degrees C, improving thermal decomposition efficiency. The synergistic effect between the flame retardant and PU-WS facilitated the retention of nitrogen in the solid products, thereby generating high-value nitrogen-doped carbon materials. Additionally, the flame retardant significantly enhanced the formation of nitrogen-containing chemicals in the bio-oil. Compared to the samples without flame retardants, the sample with 40% flame retardant showed an 8.5-fold increase in nitrogen-containing chemicals in the pyrolysis oil, with a selectivity of 65% for piperidine compounds. A temperature of 500 degrees C was optimal for converting amines to piperidine derivatives via dehydration and cyclization. At 550 degrees C, 1-(1-methylpentyl) piperidine underwent ring-opening reactions, leading to side-chain cleavage and the release of small-molecule hydrocarbons. Quantum chemical calculations indicated that the flame retardant promoted the bond cleavage at sites such as C23-N21, C23-O25, C15-C8, C4-C8, C18-N21, and C1-N7 in the PU molecules. Based on the experimental and computational results, potential nitrogen migration mechanisms under the effect of melamine-based flame retardant were proposed. These findings provided important theoretical support for the efficient recycling of PU waste and agricultural waste.

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