Comparison of 4,4′-Dimethylbiphenyl from Biomass-Derived Furfural and Oil-Based Resource: Technoeconomic Analysis and Life-Cycle Assessment
Comparison of 4,4′-Dimethylbiphenyl from Biomass-Derived Furfural and Oil-Based Resource: Technoeconomic Analysis and Life-Cycle Assessment
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DOI：
10.1021/acs.iecr.2c00398
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发表时间：
2022-06
期刊：
影响因子：
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通讯作者：
Yuqing Luo;M. Kuo;M.-D. Ye;Raul Lobo;M. Ierapetritou
中科院分区：
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作者：
Yuqing Luo;M. Kuo;M.-D. Ye;Raul Lobo;M. Ierapetritou
用生物质衍生的糠醛代替油基甲苯生产4,4 ' -二甲基联苯（DMBP）可以为可持续聚酯生产铺平道路。本工作比较了两种4,4 ' -DMBP生产概念设计的经济和环境性能。第一种基于甲苯的路线包括甲苯烷基化成（甲基环己基）甲苯（MCHT）， MCHT脱氢成DMBP，以及低价3,3 ' -DMBP的异构化。基于可再生糠醛的途径包括糠醛加氢生成2-甲基呋喃（MF）， MF氧化偶联生成5,5 ' -二甲基呋喃（DMBF），以及串联diols - alder将5,5 ' -DMBF脱水生成4,4 ' -DMBP。对反应条件进行了优化，得到了以糠醛为原料的更经济可行的工艺。在83 kmol/h的原料规模下，糠醛路线的4,4′-DMBP最低销售价格为3044美元/t，而甲苯路线的最低销售价格为2488美元/t。通过敏感性分析，确定原料价格和3,4 ' -DMBP异构体价格为经济评价的关键参数。一项“从摇篮到大门”的生命周期评估证实，与基于甲苯的产品（8.28千克二氧化碳当量/千克DMBP）相比，基于糠醛的DMBP生产排放的温室气体显著减少（5.00千克二氧化碳当量/千克DMBP）。
Replacing oil-based toluene with biomass-derived furfural for 4,4′-dimethylbiphenyl (DMBP) production can pave the way for sustainable polyester manufacture. This work compared the economic and environmental performances of two conceptual designs of 4,4′-DMBP production. The first toluene-based route consists of toluene alkylation to (methylcyclohexyl)toluene (MCHT), MCHT dehydrogenation to DMBP, and isomerization of lower-valued 3,3′-DMBP. The renewable furfural-based route includes hydrogenation of furfural to 2-methylfuran (MF), oxidative coupling of MF to 5,5′-dimethylfuran (DMBF), and tandem Diels–Alder dehydration of 5,5′-DMBF to 4,4′-DMBP. The reaction conditions are optimized to achieve a more economically feasible process using furfural feedstock. At a scale of 83 kmol/h feedstock, the 4,4′-DMBP minimum selling price of the furfural-based route is $3044/t, while that of the toluene-based route is $2488/t. The feedstock and 3,4′-DMBP isomer prices are identified as critical parameters for the economic evaluation by sensitivity analysis. A “cradle-to-gate” life-cycle assessment confirms that furfural-based DMBP production emits significantly fewer greenhouse gas (5.00 kg CO2equiv/kg DMBP) as compared to the toluene-based counterpart (8.28 kg CO2equiv/kg DMBP).