Development of quantitative 13C NMR characterization and simulation of C, H, and O content for pyrolysis oils based on 13C NMR analysis,RSC Advances

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Development of quantitative 13C NMR characterization and simulation of C, H, and O content for pyrolysis oils based on 13C NMR analysis
RSC Advances ( IF 3.9 ) Pub Date : 2020-7-9 , DOI: 10.1039/d0ra02376k
Rui Wang _{1,

2} , Ying Luo _{1,

2} , Hang Jia _{1,

2} , Jack R Ferrell ₃ , Haoxi Ben _{1,

2}

Affiliation

Bio-oil is a valuable liquid product obtained from pyrolysis of biomass and it contains tens of hundreds of compounds, which brings about difficulties for characterization with various analytical methods. ¹³C NMR has advantages over other detection methods as it can characterize the entire composition of bio-oil and distinguish different types of carbon. But various shortcomings limit the application of ¹³C NMR. This study was carried out to develop a quantitative ¹³C NMR method to determine different functional groups in pyrolysis bio-oils with short NMR time and good accuracy, and propose a simulation of C, H, and O content for pyrolysis oils based on ¹³C NMR analysis. In order to solve long-term NMR problems, relax reagent has been added and the results show that it is an effective way to shorten the NMR time. Moreover, the aging problem is not obvious in the short-term NMR test, so the effect of aging on the test results can be neglected. Three types of substances with different oxygen content have been employed to verify the feasibility of the C, H, and O calculation methods and the result errors of all elements are small, which shows it is reliable for the simulation data of C, H and O content.

中文翻译：

基于 13C NMR 分析的热解油的 C、H 和 O 含量定量 13C NMR 表征和模拟的开发

生物油是生物质热解获得的一种有价值的液体产品，含有数以万计的化合物，这给各种分析方法的表征带来了困难。 ¹³ C NMR 比其他检测方法具有优势，因为它可以表征生物油的整个成分并区分不同类型的碳。但¹³ C NMR的各种缺点限制了其应用。本研究旨在开发一种定量¹³ C NMR 方法来测定热解生物油中的不同官能团，该方法 NMR 时间短、精度高，并提出基于¹³ C 的热解油 C、H 和 O 含量模拟核磁共振分析。为了解决NMR时间较长的问题，添加了松弛试剂，结果表明这是缩短NMR时间的有效方法。而且，在短期NMR测试中，老化问题并不明显，因此老化对测试结果的影响可以忽略不计。采用三种不同氧含量的物质验证了C、H、O计算方法的可行性，各元素结果误差较小，说明C、H、O模拟数据可靠。内容。

更新日期：2020-07-09

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