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首页> 外文期刊>Environmental Science & Technology >Using Elemental Ratios to Predict the Density of Organic Material Composed of Carbon, Hydrogen, and Oxygen
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Using Elemental Ratios to Predict the Density of Organic Material Composed of Carbon, Hydrogen, and Oxygen

机译：使用元素比率预测由碳，氢和氧组成的有机材料的密度

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摘要

A governing equation was developed to predict the density p_(org) of organic material composed of carbon, oxygen, and hydrogen using the elemental ratios O:C and H:C as input parameters: p_(org) = 1000 [(12 + 1(H:C) + 16(O:C)]/[7.0 + 5.0(H:C) + 4.15(O:C)] valid for 750 < p_(org) < 1900 kg m~(-3) Comparison of the actual to predicted p_(org) values shows that the developed equation has an accuracy of 12% for more than 90% of the 31 atmospherically relevant compounds used in the training set. The equation was further validated for secondary organic material (SOM) produced by isoprene photo-oxidation and by α-pinene ozonolysis. Depending on the conditions of SOM production, p_(org)/soM ranged from 1230 to 1460 kg m~(-3), O:C ranged from 0.38 to 0.72, and H:C ranged from 1.40 to 1.86. Atmospheric chemistry models that simulate particle production and growth can employ the developed equation to simulate particle physical properties. The equation can also extend atmospheric measurements presented as van Krevelen diagrams to include estimates of the material density of particles and their components. Use of the equation, however, is restricted to particle components having negligible quantities of additional elements, most notably nitrogen.
机译：使用元素比O：C和H：C作为输入参数，开发了一个控制方程来预测由碳，氧和氢组成的有机材料的密度p_（org）：p_（org）= 1000 [（12 + 1 （H：C）+ 16（O：C）] / [7.0 + 5.0（H：C）+ 4.15（O：C）]适用于750 _（org）<1900 kg m〜（-3）实际到预测的p_（org）值表明，对于训练集中使用的31种与大气相关的化合物中的90％以上，所开发的方程式的准确度为12％。异戊二烯的光氧化和α-pine烯的臭氧分解，根据SOM的生产条件，p_（org）/ soM的范围为1230至1460 kg m·（-3），O：C的范围为0.38至0.72，H ：C的范围是1.40到1.86。模拟颗粒产生和生长的大气化学模型可以使用已开发的方程式来模拟颗粒的物理性质，该方程式还可以扩展大气测量压力输入为van Krevelen图以包括对粒子及其成分的材料密度的估计。然而，该方程式的使用仅限于具有可忽略数量的附加元素的颗粒组分，最显着的是氮。

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  • 来源
    《Environmental Science & Technology》 |2012年第2期|p.787-794|共8页
  • 作者

    Mikinori Kuwata; Soeren R. Zorn; Scot T. Martin;

  • 作者单位

    School of Engineering and Applied Sciences and Department of Earth and Planetary Sciences, Harvard University, Cambridge, Massachusetts, United States;

    School of Engineering and Applied Sciences and Department of Earth and Planetary Sciences, Harvard University, Cambridge, Massachusetts, United States;

    School of Engineering and Applied Sciences and Department of Earth and Planetary Sciences, Harvard University, Cambridge, Massachusetts, United States;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
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