Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations

Cellulose - Heating is essential in various biomass pre-treatments and thermal conversion processes. It is of practical significance to study the characteristics of cellulose-lignin and...     

Vortex lattices in a spin-orbit coupled binary Bose-Einstein condensates with dipolar interaction

International Journal of Theoretical Physics - We consider the stationary state of a spin-orbit coupled (SOC) binary Bose-Einstein condensates with dipole-dipole interaction (DDI). Our results are...     

Design of diamond-shape photonic crystal fiber polarization filter based on surface plasma resonance effect

A novel plasmonic polarization filter based on the diamond-shape photonic crystal fiber(PCF) is proposed. The resonant coupling characteristics of the PCF polarization filter are investigated by the full-vector finite-element method. By optimizing the geometric parameters of the PCF, when the fiber length is 5 mm, the polarization filter has a bandwidth of 990 nm and an extinction ratio(ER) of lower than -20 dB. Moreover, a single wavelength polarization filter can also be achieved, along with an ER of -279.78 dB at wavelength 1.55 μm. It is believed that the proposed PCF polarization filter will be very useful in laser and optical communication systems.     

Fabricating Dual-Atom Iron Catalysts for Efficient Oxygen Evolution Reaction: A Heteroatom Modulator Approach

Understanding the thermal aggregation behavior of metal atoms is important for the synthesis of supported metal clusters. Here, derived from a metal–organic framework encapsulating a trinuclear Fe^III₂Fe^II complex (denoted as Fe₃) within the channels, a well-defined nitrogen-doped carbon layer is fabricated as an ideal support for stabilizing the generated iron nanoclusters. Atomic replacement of Fe^II by other metal(II) ions (e.g., Zn^II/Co^II) via synthesizing isostructural trinuclear-complex precursors (Fe₂Zn/Fe₂Co), namely the “heteroatom modulator approach”, is inhibiting the aggregation of Fe atoms toward nanoclusters with formation of a stable iron dimer in an optimal metal–nitrogen moiety, clearly identified by direct transmission electron microscopy and X-ray absorption fine structure analysis. The supported iron dimer, serving as cooperative metal–metal site, acts as efficient oxygen evolution catalyst. Our findings offer an atomic insight to guide the future design of ultrasmall metal clusters bearing outstanding catalytic capabilities.     

陶瓷基功能材料载体纤维增强效果及机理

以陶瓷基功能材料载体为研究对象,按照其生产工艺配方,研究了纤维种类(莫来石、氧化铝、氧化锆)及其添加量对陶瓷基功能材料载体性能的影响.在相同实验条件且不影响其功能化参数前提下,将其与未添加纤维的空白试样力学性能进行对比.结果表明,试样经1200℃烧成后,相比莫来石与氧化铝纤维增强的陶瓷基功能材料载体,氧化锆纤维的增强效果最好.当氧化锆纤维的添加量为0.8 wt;时,试样的吸水率和气孔率均较低,分别为2.0;、4.0;,相比空白对比试样抗折强度增强了42.4;.     

Synthesis and characterization of three co-crystals of bis(benzimidazole) derivatives with aromatic dicarboxylic acids

Research on Chemical Intermediates - Combination of three aromatic carboxylic acids (5-nitroisophthalic acid (H2nip), 2,6-naphthalenedicarboxylic acid (H2ndc), tetrabromoterephthalic acid (H2tbta))...     

煤直接液化油中混合酚的分离研究

利用分子筛择形特点，对煤直接液化油中的混合酚实施高效分离。本研究选取间甲酚和对甲酚作为分离煤直接液化油馏分段混合酚的模型化合物，采用化学液相沉积法对HZSM-5吸附剂的孔口结构进行改变，分析分子筛硅铝比及颗粒粒径对模型化合物间甲酚和对甲酚吸附分离性能的影响，以获得高性能固相吸附剂，并将其应用于180-190℃馏分段混合酚分离。结果表明，当分子筛硅铝比为25、粒径为3-5 μm时，分子筛的孔口结构调节效果最优；当正硅酸乙酯的最小用量为0.2 mL/g时，固相吸附剂的吸附量为0.03 g/g，对甲酚选择性高于95%。由于外表面沉积物对吸附剂的孔口结构变化，导致对甲酚选择性的提高。进一步采用HZSM-5（1）吸附剂对真实煤直接液化油混合酚的分离中发现，苯酚和对甲酚的选择性均达到100%。     

化学法改性煤沥青脱除苯并芘的研究

在管式反应器中采用苯甲酸、聚乙二醇、固体古马隆树脂（S）、液体古马隆树脂（L）为添加剂来降低煤沥青中有害物质苯并芘的含量，以期使得煤沥青可绿色化应用。采用紫外-可见分光光度计分析煤沥青中苯并芘含量。考察了反应温度、反应时间、添加剂添加量、催化剂等工艺条件对添加剂脱除煤沥青中苯并芘的影响。结果表明，不同工艺条件能降低煤沥青中苯并芘的含量。在优化条件下，不同添加剂对苯并芘脱除率由高到低依次为：液体古马隆树脂、聚乙二醇、苯甲酸和固体古马隆树脂。分析其反应机理，这与催化剂的酸性相关，发生亲电取代反应。结果表明，液体古马隆树脂（L）在催化剂存在下对煤沥青中苯并芘脱除率可达73.0%，显示了良好的应用前景。