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柴油低温流动改进剂对柴油分子存在状态的影响 被引量:2
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作者 李妍 龙军 +3 位作者 赵毅 周涵 黄燕民 蔺建民 《石油炼制与化工》 CAS CSCD 北大核心 2017年第5期1-9,共9页
采用分子动力学方法,模拟不同柴油分子体系中分子存在状态随温度的变化,经对比发现正构烷烃分子构象随温度降低"从弯到直"的显著变化是其在低温下容易聚集、结晶的主要原因,正构烷烃分子保持弯曲构象,有利于改善正构烷烃体系... 采用分子动力学方法,模拟不同柴油分子体系中分子存在状态随温度的变化,经对比发现正构烷烃分子构象随温度降低"从弯到直"的显著变化是其在低温下容易聚集、结晶的主要原因,正构烷烃分子保持弯曲构象,有利于改善正构烷烃体系的低温流动性能。在此基础上,模拟含低温流动改进剂(CFI)的正构烷烃体系中分子存在状态随温度的变化,结果表明,CFI分子可以通过分子间相互作用力为正构烷烃分子扭转角的旋转提供足够能量,使分子保持弯曲构象,从而减弱分子间的相互作用并降低分子堆积的有序性和致密性。分子链可向空间多个方向伸展,分子内含有多个弯曲程度较高的结构片段,且与正构烷烃分子间的相互作用较强的CFI分子能显著促进正构烷烃分子保持弯曲构象。 展开更多
关键词 低温流动改进剂 柴油分子 分子构象 分子间相互作用 分子动力学模拟
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NaY/β复合分子筛改性及对模拟柴油中氮化物的吸附性能 被引量:12
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作者 王福帅 李会鹏 +1 位作者 赵华 房斌斌 《石油炼制与化工》 CAS CSCD 北大核心 2012年第11期59-62,共4页
利用二次交换二次焙烧方法对NaY/β分子筛进行改性,制备CeY/β和BaY/β复合分子筛。采用XRD、ICP-MS表征方法对改性前后的分子筛结构进行分析;采用氮含量600μg/g的模拟柴油,考察改性前后分子筛的吸附脱氮效果,并优化吸附脱氮条件。结... 利用二次交换二次焙烧方法对NaY/β分子筛进行改性,制备CeY/β和BaY/β复合分子筛。采用XRD、ICP-MS表征方法对改性前后的分子筛结构进行分析;采用氮含量600μg/g的模拟柴油,考察改性前后分子筛的吸附脱氮效果,并优化吸附脱氮条件。结果表明:改性前后分子筛的特征峰基本一致,说明改性没有改变分子筛的主体晶型;改性后分子筛的脱氮率明显增加,CeY/β分子筛的脱氮效果最佳;CeY/β分子筛的适宜吸附条件为:剂油质量比1∶20,反应温度40℃,吸附时间3.0h;BaY/β分子筛的适宜吸附条件为:剂油质量比1∶40,反应温度40℃,吸附时间4.0h。 展开更多
关键词 Y β复合分子柴油吸附脱氮
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Comparison of Carboxylic Acids in Some Crude Oils and Their Diesel Distillates and VGOs:Characterized by Negative-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (Negative-Ion ESI FT-ICR MS) 被引量:3
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作者 Wang Zhenhua Tu Yongshan 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2011年第3期8-15,共8页
Three high-acidity crudes, Dar, SZ36-1, and QHD326, were separated through distillation into several fractions, including diesel distillates, and VGOs. Samples were characterized by negative-ion ESI FT-ICR MS. The O2 ... Three high-acidity crudes, Dar, SZ36-1, and QHD326, were separated through distillation into several fractions, including diesel distillates, and VGOs. Samples were characterized by negative-ion ESI FT-ICR MS. The O2 class species (petroleum carboxylic acids), which have a close relationship with corrosion of equipment caused by high-acidity crudes, were put in the focus of attention and were discussed in this paper. Monocyclic, bicyclic, and tricyclic naphthenic acids are the main types of petroleum carboxylic acids in naphthenic-base crudes (SZ36-1 and QHD326). But the main types of petroleum carboxylic acids in paraffinic-base crude (Dar) are aliphatic acids and monocyclic naphthenic acids. The O2 class species in SZ36-1 and QHD326 are distributed in a wider range and have bigger DBE value (double-bond equivalence value) and carbon number than Dar. Bicyclic naphthenic acids have the highest proportion among petroleum carboxylie acids in diesel distillates, but monocyclic and tricyclic naphthenic acids also occupy a high proportion. Particularly, aliphatic acids in the diesel distillate of Dar still have high proportion among petroleum carboxylic acids. The distribution of petroleum carboxylic acids in VGO is basically identical. The bicyclic naphthenic acids assume the first place (about 25 m%), while the monocyclic and tricyclic naphthenic acids take the next place. The comparison of petroleum carboxylic acids in diesel distillates and VGOs has revealed that the molecules of carboxylic acids in VGOs are not only bigger but also more complicated. 展开更多
关键词 O2 class species petroleum carboxylic acids aliphatic acids naphthenic acid
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