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Mechanism insight into the formation of HS from thiophene pyrolysis: A theoretical study

《环境科学与工程前沿(英文)》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1404-8

摘要:

• Possible formation pathways of H2S were revealed in thiophene pyrolysis.

关键词: Density functional theory     Waste rubber     Thiophene     H2S     Pyrolysis    

Study on extraction of thiophene from model gasoline with br?nsted acidic ionic liquids

Xiaomeng WANG, Mingjuan HAN, Hui WAN, Cao YANG, Guofeng GUAN

《化学科学与工程前沿(英文)》 2011年 第5卷 第1期   页码 107-112 doi: 10.1007/s11705-010-0539-0

摘要: Br?nsted acidic ionic liquids (ILs), -methylimidazole hydrogen sulfate ([HMIm]HSO ) and -methylpyrrolidone hydrogen sulfate ([HNMP]HSO ), are synthesized and employed as extractants to extract thiophene from model gasoline (thiophene dissolved in -octane). The effect of extraction temperature, extraction time and volume ratio of ILs to model gasoline on desulfurization rates is investigated. Then, the optimal desulfurization conditions are obtained: the ratio of ILs to model gasoline is 1∶1, extraction temperature is 50°C for [HMIm]HSO and 60°C for [HNMP]HSO , extraction time is 60 min. Meanwhile, the desulfurization rate of [HNMP]HSO for model gasoline is 62.8%, which is higher than that of [HMIm]HSO (55.5%) under optimal conditions. The reason is discussed on the basis of the interaction energy between thiophene and ILs at the B3LYP/6-311++ G(d,p) level. Furthermore, the total desulfurization rate of [HNMP]HSO and [HMIm]HSO reaches 96.4% and 94.4%, respectively, by multistage extraction. Finally, the used ILs can be reused by vacuum drying, and their desulfurization rates are not significantly decreased after recycling 7 times in single-stage desulfurization.

关键词: br?nsted ionic liquids     model gasoline     thiophene     extraction     density functional theory    

Experimental and theoretical study of microwave enhanced catalytic hydrodesulfurization of thiophene

Hui Shang, Pengfei Ye, Yude Yue, Tianye Wang, Wenhui Zhang, Sainab Omar, Jiawei Wang

《化学科学与工程前沿(英文)》 2019年 第13卷 第4期   页码 744-758 doi: 10.1007/s11705-019-1839-7

摘要: Hydrodesulfurization (HDS) of thiophene, as a gasoline model oil, over an industrial Ni-Mo/Al O catalyst was investigated in a continuous system under microwave irradiation. The HDS efficiency was much higher (5%‒14%) under microwave irradiation than conventional heating. It was proved that the reaction was enhanced by both microwave thermal and non-thermal effects. Microwave selective heating caused hot spots inside the catalyst, thus improved the reaction rate. From the analysis of the non-thermal effect, the molecular collisions were significantly increased under microwave irradiation. However, instead of being reduced, the apparent activation energy increased. This may be due to the microwave treatment hindering the adsorption though upright S-bind (η ) and enhancing the parallel adsorption (η ), both adsorptions were considered to favor to the direct desulfurization route and the hydrogenation route respectively. Therefore, the HDS process was considered to proceed along the hydrogenation route under microwave irradiation.

关键词: thiophene     microwave irradiation     hydrodesulfurization     non-thermal microwave effect    

Reactive adsorption desulfurization over a Ni/ZnO adsorbent prepared by homogeneous precipitation

Aihua KONG, Yanyu WEI, Yonghong LI

《化学科学与工程前沿(英文)》 2013年 第7卷 第2期   页码 170-176 doi: 10.1007/s11705-013-1322-9

摘要: A high-performance Ni/ZnO adsorbent was prepared by homogeneous precipitation using urea hydrolysis and characterized by N adsorption-desorption, X-ray diffraction (XRD), and scanning electron microscope (SEM). The adsorbent was applied to the deep desulfurization of gasoline and showed a high breakthrough sulfur capacity and a remarkably high volume hourly space velocity. The effects of coexisting olefins in gasoline as well as adsorptive conditions on the adsorptive performance were examined. It was found that olefins in gasoline had a slightly inhibiting effect on the desulfurization performance of the adsorbent. The optimum conditions were 673 K, 1.0 Mpa with a volume hourly space velocity of 60 h . Under the optimum conditions, ultralow sulfur gasoline could be produced and the breakthrough sulfur capacity of the adsorbent was 360 mg-s/g-sorb for the model gasoline.

关键词: nickel     reactive adsorption     desulfurization     thiophene    

Synthesis, molecular docking and antibacterial evaluation of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives

Palanisamy RAVICHANDIRAN, Dhanaraj PREMNATH, Samuel VASANTHKUMAR

《化学科学与工程前沿(英文)》 2015年 第9卷 第1期   页码 46-56 doi: 10.1007/s11705-015-1506-6

摘要: A new series of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives ( 3a-3n) were synthesized and characterized by spectral techniques. To understand the interaction of binding sites with bacterial protein receptor, the docking study was performed by the GLIDE program and compound -(4-(4-(1,4-dioxo-3-(thiophen-2-ylthio)-1,4-dihydronaphthalen-2-ylamino)phenylsulfonyl)phenyl)-3-methylbenzamide ( 3b) exhibited good glide and E model scores of ?5.89 and ?94.90, respectively. Moreover among all the molecules studied including the standards used, namely Sparfloxacin (4.8 μg/mL) and Norfloxacin (no inhibition observed) for their antibacterial property, compound -(4-(4-(1,4-dioxo-3-(thiophen-2-ylthio)-1,4-dihydronaphthalen-2-ylamino)phenylsulfonyl)phenyl)-4-nitrobenzamide ( 3e) exhibited the lowest minimum inhibitory concentration (MIC) value of 1.3 μg/mL against .

关键词: MIC     2-thiophene thiol     water as solvent     acid chlorides     sulfone    

标题 作者 时间 类型 操作

Mechanism insight into the formation of HS from thiophene pyrolysis: A theoretical study

期刊论文

Study on extraction of thiophene from model gasoline with br?nsted acidic ionic liquids

Xiaomeng WANG, Mingjuan HAN, Hui WAN, Cao YANG, Guofeng GUAN

期刊论文

Experimental and theoretical study of microwave enhanced catalytic hydrodesulfurization of thiophene

Hui Shang, Pengfei Ye, Yude Yue, Tianye Wang, Wenhui Zhang, Sainab Omar, Jiawei Wang

期刊论文

Reactive adsorption desulfurization over a Ni/ZnO adsorbent prepared by homogeneous precipitation

Aihua KONG, Yanyu WEI, Yonghong LI

期刊论文

Synthesis, molecular docking and antibacterial evaluation of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives

Palanisamy RAVICHANDIRAN, Dhanaraj PREMNATH, Samuel VASANTHKUMAR

期刊论文