Reaction of nitrogen dioxide with hydrocarbons and its influence on spontaneous ignition. A computational study
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Abstract:
Estimates are made, by using BHandHLYP/6-311G** density functional molecular orbital theory, of the activation energies and frequency factors for the reaction of NO2 with methane, ethane, propane, isobutane, and benzene. For the aliphatic hydrocarbons, over the temperature range 600–1100 K, the rate of formation of a new isomer of nitrous acid, HNO2, is very similar to that for the formation of the common isomer, HONO. This complicates our description of the acceleration of spontaneous ignition of diesel fuels by organic nitrates. These rate data are used in a reduced kinetic model to examine the effect of NO2 upon the spontaneous ignition of some linear- and branched-chain aliphatic hydrocarbons. It is concluded that, under typical diesel engine operating conditions, the spontaneous ignition of linear-chain paraffins is accelerated by the presence of NO2, but may be retarded for heavily branched-chain isomers. An Appendix discusses the relative importance of tunnelling in hydrogen-transfer reactions.Keywords:
Isobutane
Propane
Nitrogen dioxide
Chain reaction
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Objective To establish a direct injection gas chromatography method for the determination of methane,propane, butane or isobutane in the air of workplace.Methods Methane,propane,butane or isobutane in the air of workplace were collected by a syringe or a air bag with direct injection,and then analyzed by GC.Results The method showed a good linearity with the correlation coefficient(r0.999) and the relative standard deviation 1.2%～1.6%(n = 6 ).The limit of quantification of the method was 0.50 mg/m~3.When air bag was used for sampling,methane and propane can be stored at room temperature for at least 8 days,and isobutane or butane for at least 5 or 2 days.Contrarily,when sampling with a syringe,the samples should be measured on the same day as soon as possible.Conclusion The established new method could be used for determination of methane,propane,butane or isobutane in the air of workplace.
Isobutane
Propane
Butane
Flame ionization detector
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LPGの飽和液密度を知る目的で, 耐圧型ピクノメーターにより, n-ブタン-イソブタン, n-ブタン-プロパン, イソプタン-プロパン, n-ブタン-イソブタン-プロパン混合物の液密度を273.15～323.15Kで, 推定最大誤差0.2%で測定した。その結果, n-ブタン-イソブタン混合物以外はモル分率から加成的に求めた値より実測密度は大きくなるが, 重量分率を用いればほぼ測定誤差内で加成性が成り立つことがわかった。またMRK状態式, Hankinson らおよび Teja の方法による推算を試みた結果, Hankinson らおよび Teja の方法は, いずれも絶対平均誤差0.1%以内のほとんど同精度で推算できるが, MRK式による推算はこれらより若干精度が悪くなることが認められた。
Isobutane
Propane
Butane
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PTxy data (bubble-point and dew-point pressures at a specific composition) for two binary systems, propane (1) + n-butane (2) and propane (1) + isobutane (3), are presented in this paper. These binary systems are under consideration for use as a refrigerant for a Lorentz cycle. A recirculation method along with the aid of a new composition measurement system was employed. The experimental uncertainty is 3 mK for temperature, 0.027% + 1.04 kPa for pressure, and 0.11 mol % for composition. A total of 60 data points were obtained in the temperature range of (270 to 310) K for propane (1) + n-butane (2) and (260 to 320) K for propane (1) + isobutane (3). Comparisons of the present data with available mixture thermodynamic models and other experimental data are discussed in this paper.
Isobutane
Propane
Butane
Dew point
Bubble point
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Isobutane
Propane
Vapor-compression refrigeration
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LPGの飽和液密度を知る目的で, 耐圧型ピクノメーターにより, n-ブタン-イソブタン, n-ブタン-プロパン, イソプタン-プロパン, n-ブタン-イソブタン-プロパン混合物の液密度を273.15～323.15Kで, 推定最大誤差0.2%で測定した。その結果, n-ブタン-イソブタン混合物以外はモル分率から加成的に求めた値より実測密度は大きくなるが, 重量分率を用いればほぼ測定誤差内で加成性が成り立つことがわかった。またMRK状態式, Hankinson らおよび Teja の方法による推算を試みた結果, Hankinson らおよび Teja の方法は, いずれも絶対平均誤差0.1%以内のほとんど同精度で推算できるが, MRK式による推算はこれらより若干精度が悪くなることが認められた。
Isobutane
Propane
Butane
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Isobutane
Propane
Butane
Alkane
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Vapor pressures of n-butane-ethane, isobutane-ethane, and n-butane-isobutane-propane-ethane systems.
LPG中には最大数%のエタンが含まれており, これが蒸気圧に与える影響は比較的大きい。そこで, 本研究では前報に引きつづいて, n-ブタン-エタン, イソブタン-エタン, n-ブタン-イソブタン-プロパン-エタン4成分系の蒸気圧を, 前報同様273.15～323.15Kの範囲で, 沸点法により測定した。その結果, 実際の蒸気圧は加成的に求めた蒸気圧より低くなることがわかった。さらにこれらの測定結果から, n-ブタン-エタン, イソブタン-エタン系のエタンのヘンリー定数を求めた。また, 前報も含めて, LPGの蒸気圧は各物質ごとにきめたΩa, Ωbを用いた修正 Redlich Kwong 状態式により十分実用的な精度で推算できることがわかった。
Isobutane
Propane
Butane
Alkane
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Neopentane
Isobutane
Propane
Alkane
Characterization
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Isobutane
Propane
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Reaction rate
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Abstract Isothermal vapor‐liquid equilibrium data for propane‐isobutane, a system of industrial importance, have been obtained in two pieces of apparatus at temperatures from 20° to 250°F. Over this temperature range, propane‐isobutane form ideal solutions. The paper discusses the sampling errors which occur in volatile systems.
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Propane
Isothermal process
Vapor–liquid equilibrium
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