Emission regulation of conventional energy-intensive industries

Chen, You-hua; Wang, Chan; Nie, Pu‐yan

doi:10.1007/s10668-019-00364-x

Cited by 7 publications

(1 citation statement)

References 46 publications

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“…Considering the strict emission regulations of the automobile industry and the increasing global energy demand and price, people are vigorously researching and developing renewable energy to replace fossil derivative products in an economically and environmentally sustainable way to meet the future demand. − Biofuels, liquid, or gas fuels derived from biomass are considered the natural successors to petroleum derived products that dominate the transportation industry because they have many desirable fuel characteristics. − …”

Section: Introductionmentioning

confidence: 99%

Theoretical Studies on the Reaction Kinetic of 2-Acetylfuran with Hydroxyl Radicals

He,

Chen,

Zhu

et al. 2023

ACS Omega

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With the development of synthetic methods, 2acetylfuran (AF2) has become a potential biomass fuel. The potential energy surfaces of AF2 and OH including OH-addition reactions and H-abstraction reactions were constructed by theoretical calculations at the CCSDT/CBS/M06-2x/cc-pVTZ level. The temperature-and pressure-dependent rate constants of the relevant reaction pathways were solved based on transition state theory and Rice−Ramsperger−Kassel−Marcus theory, as well as Eckart tunneling effect correction. The results showed that the H-abstraction reaction on CH 3 on the branched chain and the OH-addition reaction at the C (2) and C (5) sites on the furan ring were the main reaction channels in the reaction system. At low temperatures, the AF2 and OH-addition reactions dominate, and the percentage decreases gradually to zero with increasing temperature, and at high temperatures, the H-abstraction reactions on the branched chains become the most dominant reaction channel. The rate coefficients calculated in the current work improve the combustion mechanism of AF2 and provide theoretical guidance for the practical application of AF2.

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