hexahydrodibenzothiophene | 27236-37-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: hexahydrodibenzothiophene
• 英文别名: 1,2,3,4,4a,5a-Hexahydrodibenzo[b,d]thiophene；1,2,3,4,4a,5a-hexahydrodibenzothiophene
• CAS: 27236-37-9
• 化学式: C₁₂H₁₄S
• 分子量: 190.309
• InChiKey: WDWCNEBLQHCZHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二苯并噻吩 在 氢气 作用下， 生成 1,2,3,4-四氢-二苯[B,D]并噻吩 、 环己基苯 、 hexahydrodibenzothiophene
  参考文献：
  名称：

  Liang, Jilei; Wu, Mengmeng; Cai, Hongmei, Journal of the Chemical Society of Pakistan, 2017, vol. 39, # 6, p. 1075 - 1079

  摘要：

  DOI：

文献信息

• Boron and/or carbon nanofiber modified alumina-supported molybdenum-cobalt catalysts useful in hydrodesulfurization
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US11377601B2

  公开（公告）日：2022-07-05

  Carbon nanofiber doped alumina (Al-CNF) supported MoCo catalysts in hydrodesulfurization (HDS), and/or boron doping, e.g., up to 5 wt % of total catalyst weight, can improve catalytic efficiency. Al-CNF-supported MoCo catalysts, (Al-CNF-MoCo), can reduce the sulfur concentration in fuel, esp. liquid fuel, to below the required limit in a 6 h reaction time. Thus, Al-CNF-MoCo has a higher catalytic activity than Al—MoCo, which may be explained by higher mesoporous surface area and better dispersion of MoCo metals on the AlCNF support relative to alumina support. The BET surface area of Al—MoCo may be 75% less than Al-CNF-MoCo, e.g., 166 vs. 200 m2/g. SEM images indicate that the catalyst nanoparticles can be evenly distributed on the surface of the CNF. The surface area of the AlMoCoB5% may be 206 m2/g, which is higher than AlMoCoB0% and AlMoCoB2%, and AlMoCoB5% has the highest HDS activity, removing more than 98% sulfur and below allowed levels.

  在加氢脱硫（HDS）过程中，碳纳米纤维掺杂氧化铝（Al-CNF）负载的MoCo催化剂，以及硼掺杂（例如，催化剂总质量的5%以内），能够提高催化效率。以Al-CNF为载体的MoCo催化剂（Al-CNF-MoCo）可以在6小时内将燃料（特别是液体燃料）中的硫浓度降至规定限值以下。因此，Al-CNF-MoCo催化剂的活性高于Al—MoCo催化剂，这可能归因于其更大的介孔比表面积，以及MoCo金属在Al-CNF载体上的更好分散性，相较于氧化铝载体。例如，Al—MoCo的BET比表面积可能比Al-CNF-MoCo低约75%，即166 m²/g与200 m²/g相比。扫描电镜图像表明，催化剂纳米颗粒可以均匀分布在CNF表面。AlMoCoB5%比表面积约为206 m²/g，高于AlMoCoB0%和AlMoCoB2%。其中，AlMoCoB5%具有最高的HDS活性，脱硫率超过98%，达到允许限值以下。
• MOLECULE-BASED EQUATION ORIENTED REACTOR SIMULATION SYSTEM AND ITS MODEL REDUCTION
  申请人：Aspen Technology, Inc.

  公开号：EP3729442A1

  公开（公告）日：2020-10-28
• Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction
  申请人：Aspen Technology, Inc.

  公开号：US20190228843A1

  公开（公告）日：2019-07-25

  A computer-implemented method and system for modeling chemical reaction in a chemical reactor is disclosed. The method and system employ a molecule-based equation-oriented approach. Local-stored pre-estimated thermodynamic properties are generated based on a set of homologous series of compounds defined by the method and system. A set of reaction rate equations is automatically generated in equation-oriented format based on the defined set of homologous series of compounds, a system-defined set of permissible reactions, system-defined properties of the reactor compounds, and the locally-stored pre-estimated thermodynamic properties. The automatically generated set of reaction rate equations forms the model of chemical reactions in the chemical reactor.
• BORON AND/OR CARBON NANOFIBER MODIFIED ALUMINA-SUPPORTED MOLYBDENUM-COBALT CATALYSTS USEFUL IN HYDRODESULFURIZATION
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US20200087585A1

  公开（公告）日：2020-03-19

  Carbon nanofiber doped alumina (Al-CNF) supported MoCo catalysts in hydrodesulfurization (HDS), and/or boron doping, e.g., up to 5 wt % of total catalyst weight, can improve catalytic efficiency. Al-CNF-supported MoCo catalysts, (Al-CNF-MoCo), can reduce the sulfur concentration in fuel, esp. liquid fuel, to below the required limit in a 6 h reaction time. Thus, Al-CNF-MoCo has a higher catalytic activity than Al—MoCo, which may be explained by higher mesoporous surface area and better dispersion of MoCo metals on the AlCNF support relative to alumina support. The BET surface area of Al—MoCo may be 75% less than Al-CNF-MoCo, e.g., 166 vs. 200 m 2 /g. SEM images indicate that the catalyst nanoparticles can be evenly distributed on the surface of the CNF. The surface area of the AlMoCoB5% may be 206 m 2 /g, which is higher than AlMoCoB0% and AlMoCoB2%, and AlMoCoB5% has the highest HDS activity, removing more than 98% sulfur and below allowed levels.
• MOLYBDENUM BASED CATALYST SUPPORTED ON TITANIA-MODIFIED ZEOLITE
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US20210060536A1

  公开（公告）日：2021-03-04

  A supported catalyst having catalytic species including molybdenum as well as cobalt and/or vanadium as a promoter disposed on a support material containing zeolite modified with titanium dioxide. Various methods of preparing and characterizing the supported catalyst are disclosed. The utilization of the catalyst in treating a hydrocarbon feedstock containing sulfur compounds (e.g. dibenzothiophene) to produce a desulfurized hydrocarbon stream is also provided.