Phase Field Modelling Allotropic Transformation of Solid Solution

Based on multiphase field conception and integrated with the idea of vectorvalued phase field, a phase field model for typical allotropic transformation of solid solution is proposed. The model takes the non-uniform distribution of grain boundaries of parent phase and crystal orientation into account in proper way, as being illustrated by the simulation of austenite to ferrite transformation in low carbon steel. It is found that the misorientation dependent grain boundary mobility shows strong influence on the formation of ferrite morphology comparing with the weak effect exerted by misorientation dependent grain boundary energy. The evolution of various types of grain boundaries are quantitatively characterized in terms of its respective grain boundary energy dissipation. The simulated ferrite fraction agrees well with the expectation from phase diagram, which verifies this model.     

Atomic Modulation Triggering Improved Performance of MoO3 Nanobelts for Fiber‐Shaped Supercapacitors

Asymmetric supercapacitors (ASCs) are emerging as a new class of energy storage devices that could potentially meet the increasing power and energy demand for next‐generation portable and flexible electronics. Yet, the energy density of ASC is severely limited by the low capacitance of the anode side, which commonly uses the carbon‐based nanomaterials. Here, the demonstration of sulfur‐doped MoO_3?x nanobelts (denoted as S‐MoO_3?x) as the anode for high‐performance fiber‐shaped ASC are reported. The Mo sites in MoO₃ are intentionally modulated at the atomic level through sulfur doping, where sulfur could be introduced into the MoO₆ octahedron to intrinsically tune the covalency character of bonds around Mo sites and thus boost the charge storage kinetics of S‐MoO_3?x. Moreover, the oxygen defects are occurring along with sulfur‐doping in MoO₃, enabling efficient electron transport. As expected, the fiber‐shaped S‐MoO_3?x achieves outstanding capacitance with good rate capability and long cycling life. More impressively, the fiber‐shaped ASC based on S‐MoO_3?x anode delivers extremely high volumetric capacitance of 6.19 F cm^?3 at 0.5 mA cm^?1, which makes it promising as one of the most attractive candidates of anode materials for high‐performance fiber‐shaped ASCs.     

Ionic liquids for coal dissolution,extraction and liquefaction

Coal is the most abundant fossil fuel. Direct combustion of low- and medium-rank coals causes alarming environmental impacts. Therefore, it is crucial for coal to undergo pretreatments before its efficient utilization [such as coal to liquid (CTL) processes]. Conventional pretreatment methods suffer from several limitations including the use of volatile organic solvents, environmental hazards, strong reaction conditions (e.g. high temperature and pressure), consumption of large quantities of nonrecoverable chemicals (e.g. bases used in aqueous alkaline digestion), or being only effective for specific coals. On the other hand, coal pretreatment by nonvolatile ionic liquids (ILs) could lead to partial coal dissolution/swelling and structure disruption, which is a critical step before coal liquefaction, hydrogenation, pyrolysis or the inhibition of oxidation/combustion. In addition, ILs are suitable solvents for extracting sulfur compounds from coal, asphaltenes from Direct Coal Liquefaction Residues (DCLR) and phenolic compounds from coal tar. This review will discuss these aspects of coal pretreatments by ILs, and identify how ILs could lead to a cleaner and more efficient utilization of coal resources. © 2020 Society of Chemical Industry     

Inter-diffusion Based Analytical Model for Growth Kinetics of IMC Layers at Roll Bonded Cu/Al Interface During Annealing Process

Metals and Materials International - A model based on inter-diffusion theory was established to predict growth kinetics of the intermetallic compounds (IMCs) formed in roll bonded Al/Cu sheets...     

折光指数快速测定聚丙烯腈溶液固含量

为实时监测聚合反应过程,完善现有检测项目的时效性和准确性,建立了一种快速测定丙烯腈聚合转化率的方法。通过采集不同时间节点聚合样品,分别测量其折光指数和聚丙烯腈溶液固含量,建立两者之间的关系曲线,从而实现各时间节点样品聚丙烯腈固含量的快速测定。结果表明,折光指数与聚丙烯腈溶液固含量呈线性关系,由该线性关系确定的斜率和截距可以作为反映聚合反应批次间差异性的指纹性指标。     

电压对微弧氧化膜抑制7050铝合金氢脆敏感性的影响

为进一步探究微弧氧化膜和7050铝合金的氢脆敏感性之间的关系,采用了湿空气中的慢应变速率拉伸、拉伸断口形貌分析、微弧氧化试样表面形貌分析及氢含量测试等表征手段,验证了微弧氧化膜抑制7050铝合金在湿空气中发生氢脆的机制。结果表明,不同微弧氧化电压下制备的膜层对7050铝合金具有不同的抑制氢脆效果,抑制机制主要由膜阻氢进入试样和膜致附加压应力两个方面组成。     

N_2O_5/HNO_3硝解TAIW合成CL-20

以2,6,8,12-四乙酰基-2,4,6,8,10,12-六氮杂四环-[5,5,0,03,11,05,9]十二烷(TAIW)为原料,采用N2O5/HNO3为硝化剂硝解TAIW制备六硝基六氮杂异伍茲烷(CL-20)。通过系统研究N2O5/HNO3硝解TAIW的加料方式、温度、料比、反应时间、稀释用水量等因素对反应收率和纯度的影响,找出了最佳反应条件:反应温度60~80℃,反应时间7h,m(TAIW)∶m(N2O5)∶V(HNO3)=3g∶4g∶15mL,后处理时稀释用水量20mL,CL-20收率为82.34%,纯度为98.29%。当以质量分数10%的CF3SO3H/树脂为催化剂时,收率提高至87.35%,纯度基本不变,且催化剂的回收率达到99.15%。该方法避免硫酸的使用,减轻了废酸污染,具有较强的工业化应用前景。     

煤气化废水处理工艺探讨

煤气化废水的特点是温度高、硬度高、NH3-N高、有机物含量相对不足。针对这些特点引起的运行不稳定,逐一提出解决方案,并形成一套完整的针对煤气化废水的处理工艺。