共查询到16条相似文献,搜索用时 38 毫秒
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平朔煤CS2萃取物GC/MS分析 总被引:3,自引:1,他引:3
采用溶剂萃取和色 -质联用结合色谱保留值的定性方法 ,分析研究了平朔煤 CS2 萃取物的化学组成 ,鉴定出 1 80多种化合物 ,并对鉴定出的单个化合物进行了定量分析 ;讨论了平朔煤CS2 萃取物化学成分的结构特征 .结果表明 :萃取物主要由脂肪烃、芳烃和极性化合物三类成分组成 ;芳烃含量在萃取物中占绝对优势 ,且主要为 2 - 4环的烷基取代芳烃 ;脂肪烃除主要成分正构烷烃外 ,还有少量的类异戊二烯烃和萜烷 ;极性化合物所占的比例很小 ,并首次在煤中发现邻二氯苯 . 相似文献
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神府东胜煤CS2萃取物组成分析 总被引:6,自引:1,他引:6
采用溶剂萃取、色-质联用和色-红联用结合色谱保留值的定性方法,分析研究了神府东胜煤CS2萃取物的化学成分和结构,鉴定出120多种化合物,并对所鉴定出的单个化合物进行了定量分析,讨论了神府东胜煤CS2萃取物化学成分的结构特征.结果表明:萃取物主要由脂肪烃、芳烃和极性化合物三类成分组成.芳烃含量在萃取物中占绝对优势,且主要为1-4环的烷基取代芳烃.脂肪烃除主要成分正构烷烃外,还有少量的类异戊二烯烃和萜烷,极性化合物所占的比例很小,以含氧化合物为主. 相似文献
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溶剂分级萃取法研究平朔煤的化学组成特征 总被引:3,自引:0,他引:3
采用7种不同有机溶剂对平朔煤进行分级萃取,并利用GC/MS测定分析各级萃取物的化合物成分,对其化学组成及结构特征进行了对比研究.结果表明,利用不同溶剂分级萃取的方法可以较有效地对煤中有机化合物族组分起到粗分离的作用.CS2萃取物的主要成分是2环~4环烷基取代芳烃;正已烷萃取物几乎均为长链烷烃;在甲醇萃取物中检测出形式多样的含氧和含氮化合物;在丙酮萃取物中检测出长链烷基环已烷系列;芳烃在苯萃取物中多为2环,而在丙酮萃取物和THF萃取物中则是4环~7环缩合程度较高的芳烃;另外,在煤中首次发现邻二氟苯和氯胺酮. 相似文献
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《煤炭转化》2021,(4)
以山西古交焦煤为实验用样,采用不同体积分数的四氢呋喃(THF)溶剂进行萃取,计算得到溶剂萃取率,并分别对萃取物的化合物组成和萃余物的主要官能团进行气相色谱-质谱联用(GC/MS)和傅立叶变换红外光谱(FTIR)分析。结果表明:萃取率随着THF体积分数的增加呈现增大的趋势,随着萃取时间的增加和萃取温度的升高,分别呈现倒"∽"波动和倒"V"型的变化趋势;焦煤的THF萃取物主要为脂肪烃、芳香烃和含杂原子有机化合物等,其中芳香烃相对含量最小,含杂原子有机化合物相对含量最大,且多为含氧化合物。进一步发现,随着THF体积分数的增加,萃取物的脂肪烃含量先增大后减小,而杂原子化合物含量呈现相反的变化规律,芳香烃则仅在THF纯溶剂萃取作用下能检测到。25℃萃取物中的酯类、醛类和羧酸类等含氧化合物较多,45℃萃取物中醇类化合物明显增多。此外,水溶剂的存在有利于醇类和酸类低分子化合物的溶出。从焦煤及其各萃余物中的官能团分布来看,100%THF萃余物中脂肪烃含量最高,富氢指数I_1达到3.24;脂肪链结构参数I_4随THF体积分数的增大呈先增大后减小的趋势,且在100%THF萃取时最小,为2.59;相比于芳香结构的化合物,脂肪族化合物相对溶出更多,是萃余物芳构化程度I_2计算值增大的原因。而受杂原子化合物中含氧低分子化合物溶出影响,萃余煤含氧指数I_3在不同体积分数的THF萃取后表现出先增大再减小的特征。研究认为,尽管萃取过程中水不占据主导地位,但在一定程度上会影响THF溶剂的萃取化合物类型及抑制其萃取能力。 相似文献
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温和条件下用等体积的二硫化碳/四氢呋喃(CS2/THF)混和溶剂萃取鄂尔多斯煤,采用傅立叶变换红外光谱(FTIR)和气相色谱/质谱联用技术(GC/MS)分析了萃取物的化学成分和结构特征。结果表明:经过5次新鲜溶剂萃取,总萃取率为6.6%。第1次萃取物的质量最大,占萃取物总量的68%。各次萃取物的FTIR谱图含有较丰富的官能团信息,推测其中含有脂肪族、芳香族和含杂原子化合物。将5次萃取物分别用GC/MS进行检测,只有第1次萃取物可测,共检测出7种化合物且均为芳香族化合物,其中相对含量较大的3种化合物分别为惹烯、7-丁基-1-己基萘和西蒙内利烯。 相似文献
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Fushun oil shale (FOS) was subjected to thermal dissolution (TD) under different conditions. The results show that the optimal solvent, temperature, time, and ratio of solvent to FOS are ethanol, 300℃, 2 h, and 5 ml·g-1, respectively and the corresponding yield of the soluble portion (SP) is 32.2% (daf), which is much higher than the oil content of FOS (ca. 6%), suggesting that TD in ethanol is an excellent way to extract organics from FOS. According to 3 direct analyses, aliphatic moieties in FOS are the most abundant followed by C-O-containing moieties and each cluster in FOS has 3 conjugated aromatic rings on average with fewer substituents. According to the analysis with a gas chromatograph/mass spectrometer, alkanes are predominant in all the SPs. A number of alkenes were identified in the SPs from the TD, while none of the alkenes were detected in acetone-SP obtained at room temperature, implying that the TD can destroy the π-π and intertwining interactions between alkenes and macromolecular structures in FOS. Moreover, a small amount of alkyl-substituted phenols and alkoxysubstituted phenols were detected in ethanol-SP from the TD, which could be the products from ethanolyzing the macromolecular moiety of FOS. 相似文献
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R. Yoshida T. Yoshida Y. Nakata Y. Hasegawa M. Hino Y. Ikawa M. Makabe D.M. Bodily 《Fuel Processing Technology》1983,7(2):161-171
Coal hydrogenation products, Athabasca tar sand bitumen, and Green River shale oil produced by retorting were analyzed by the Brown—Ladner method and the Takeya et al. method on the basis of elemental analysis and 1H-NMR data, by 13C-NMR spectroscopy and by FT-IR spectroscopy. Structural characteristics were compared.The results show that the chemical structure of oils from Green River shale oil and Athabasca tar sand bitumen, and the oils produced in the initial stage of hydrogenation of Taiheiyo coal and Clear Creek, Utah, coal is characterized as monomers consisting of units of one aromatic ring substituted highly with C3–6 aliphatic chains and heteroatom-containing functional groups. The chemical structure of asphaltenes from Green River shale oil and Athabasca tar sand bitumen is characterized by oligomers consisting of units of 1–2 aromatic rings substituted highly with C3–5 aliphatic chains and heteroatom-containing functional groups. The chemical structure of asphaltenes from coal hydrogenation is characterized by dimers and/or trimers of unit structures of 2 to 5 condensed aromatic rings, substituted moderately with C2–5 aliphatic chains and heteroatom-containing functional groups.The close agreement between fa(1H-NMR) and fa(13C-NMR) for Green River shale oil derivatives and Athabasca tar sand derivatives indicates that the assumption of 2 for the atomic H/C ratio of aliphatic structures is reasonable. For coal hydrogenation products, a value of 1.6–1.7 for the H/C ratio of aliphatic structures would be more reasonable. 相似文献
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Robert A. Regtop John Ellis Phillip T. Crisp Alfred Ekstrom Christopher J.R. Fookes 《Fuel》1985,64(12):1640-1646
Aliphatic compounds (alkanes, alkenes, alkanoic acids, ketones, alcohols and amines) were passed through beds of spent oil shales (Condor brown, Condor carbonaceous, Julia Creek), minerals (quartz, calcite, K-feldspar, pyrite, kaolinite) and charcoal at temperatures of 300–600 °C and the products were analysed by g.c.m.s. All the materials catalysed isomerization, aromatization and cracking to varying degrees: non-clay minerals < kaolinite ≈ spent oil shales < charcoal. Products included branched alkanes, isomeric alkenes, nitriles, ketones and alkyl-substituted benzenes, naphthalenes, pyridines, phenols, thiophenes and pyrroles. These compounds occur in shale oils and may be derived from secondary reactions of aliphatic products arising from kerogen cracking. 相似文献
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通过控制桦甸油页岩干馏终温,得到5个不同终温下页岩油样品,对各页岩油样按沸点300℃进行切割,其中轻质油馏分(<300℃)进行GC-MS检测,对产物分类统计,分析页岩油组成成分随干馏终温变化规律;重质油馏分(>300℃)进行了1H和13C核磁共振波谱分析,对谱图积分获得其氢、碳分布情况,研究了干馏终温对页岩油化学结构的影响。结果显示,轻质油组成中脂肪族化合物占绝大部分,其中正构烷烃、α-烯烃和正构醛、醇三者具有同源性,均由烷基自由基生成。随着干馏终温的升高,长链烷烃分解,支链烷烃侧链断裂,使轻质油脂肪烃碳链长度变短,重质油直链脂肪烃增多,页岩油发生更多的芳环缩合反应导致轻质油与重质油芳香环数量均增多,同时轻质油中芳环缩合程度加深。 相似文献
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<正> 引言 化合物的理化性质主要由分子的几何结构和电子结构所决定,如何直接从分子结构预测化合物的理化性质已成为近几年来计算机化学的主要研究内容之一.利用拓扑指数与化合物的理化性质建立定量结构-性质/活性关系(QSPR/QSAR)来对化合物的性质/活性进行预测和评估则是一条十分简便的途径,引起了人们的极大兴趣.目前,拓扑指数法已广泛用于化学、化工、生物化学、环境科学、药学以及毒理学等领域,拓扑指数(即图不变量)就是用某种数学量来表征化合物的分子结构.虽然目前已提出了一百多种拓扑指数,但真正能适应含杂原子、多重键等复杂体系的却廖廖无几.为此,作者最近提出了一个新的拓扑指数Xu,并成功地用于烷烃的沸点等理化性质的预测.本文进一步将Xu指数推广到含多重键、杂原子的化合物体系以期对化合物的热容进行预测. 相似文献