Reduced chemistries with the Quantemol database (QDB)

Typical feed gas mixtures used in technological and other plasmas may give rise to reaction networks involving several hundred reactions. Such chemistries are often too large to be used in full reactor simulations and it is therefore desirable to construct reduced chemistry networks which mimic as closely as possible the behavior of the full chemistry but employ far fewer individual reactions and species. Constructed chemistries are available from the Quantemol database (QDB) and two approaches to constructing reduced chemistry from these chemistries based on (a) physical intuition and (b) sensitivity analysis of dominant reaction pathways, are explored. In doing this it is necessary to consider different pressure and power regimes. Reduced chemistry sets are presented for CF₄ /O₂/N₂/H₂, for which 396 reactions and 52 species are reduced to 71 reactions and 26 species, and for pure O₂, for which 45 reactions and 10 species are reduced to 34 reactions.     

Evolution of properties of parts during MIM and sintering of recycled oxide particles

Metal injection moulding (MIM) is an established process for high volume production of complex shaped metallic parts using commercially available feedstocks. The characteristics of parts after moulding, debinding, and sintering cannot be simply predictable from raw materials because the properties get altered with the process parameters and the corresponding levels of porosity during processing steps. In this study, physical properties, microstructure, and mechanical properties of the MIM parts have been characterised to understand the evolution of strength during various steps in MIM processing. Feedstocks with different binder loading show a considerable difference in physical as well as mechanical characteristics. During sintering of parts which have solid loading of grinding sludge, simultaneous in situ reduction and densification takes place, whereas only densification occurs in carbonyl iron parts. It is, therefore, possible to make complex shaped parts of different levels of porosity from downgraded shop floor metallic waste.     

菱铁矿直接还原-低阶煤提质一体化扩大试验

摘要：菱铁矿作为中国重要的铁矿资源，因具有“贫、细、杂”的特点，常规选矿工艺无法对其进行有效分选；此外，中国低阶煤通常被用作低级燃料直接燃烧使用，导致大气污染严重。因此，开发复杂难选铁矿石及低阶煤资源高效清洁利用新技术，将具有重要现实意义。以难选的低品位菱铁矿和难利用低阶煤为对象，开展菱铁矿直接还原与低阶煤提质一体化扩大试验研究。以神府烟煤为还原剂，在直接还原温度为1050℃，时间为120min，C/Fe质量比为250，脱硫剂配比为6%，干式磁选磁场强度为015 T，一段磨矿细度小于0074mm占50%左右，湿式磁选磁场强度为008 T，二段磨矿细度小于0074mm占90%左右，磁选磁场强度为0043 T的条件下，可获得直接还原铁（DRI）粉铁品位9103%、铁总回收率8133%的良好指标；同时每吨DRI固定碳质量分数为7611%的半焦产品产出率为1340kg，其质量达到工业及民用燃料兰炭Ⅰ级品标准。在煤基直接还原工艺中一步成功实现低阶煤半焦化提质和铁矿直接还原，不仅可制备电炉炼钢原料，还可以生产新型的清洁燃料半焦。     

基于弱变异准则的测试用例约简方法

针对为数较多的测试用例增加了回归测试成本的问题，提出一种基于弱变异准则的测试用例约简方法。首先，基于弱变异准则获得测试用例和变异分支关系矩阵；然后，重复约简4种无效测试需求和子集测试用例；最后，结合人工鱼群算法选择当前最优测试用例，并且交替执行简化和测试用例选择操作直至覆盖所有测试需求。该方法针对6个经典程序与贪心算法和HGS算法相比，基于弱变异准则并且不改变或稍微改变变异评分的条件下，约简率分别提高了73.4%和8.2%，且耗时分别降低了25.3%和56.1%。实验结果表明，所提方法在回归测试中可有效约简测试用例，降低测试代价。     

Crossing the Border: From Keto- to Imine Reduction in Short-Chain Dehydrogenases/Reductases

The family of NAD(P)H-dependent short-chain dehydrogenases/reductases (SDRs) comprises numerous biocatalysts capable of C=O or C=C reduction. The highly homologous noroxomaritidine reductase (NR) from Narcissus sp. aff. pseudonarcissus and Zt_SDR from Zephyranthes treatiae, however, are SDRs with an extended imine substrate scope. Comparison with a similar SDR from Asparagus officinalis (Ao_SDR) exhibiting keto-reducing activity, yet negligible imine-reducing capability, and mining the Short-Chain Dehydrogenase/Reductase Engineering Database indicated that NR and Zt_SDR possess a unique active-site composition among SDRs. Adapting the active site of Ao_SDR accordingly improved its imine-reducing capability. By applying the same strategy, an unrelated SDR from Methylobacterium sp. 77 (M77_SDR) with distinct keto-reducing activity was engineered into a promiscuous enzyme with imine-reducing activity, thereby confirming that the ability to reduce imines can be rationally introduced into members of the “classical” SDR enzyme family. Thus, members of the SDR family could be a promising starting point for protein approaches to generate new imine-reducing enzymes.     

刚果(金)某氧化铜精矿还原熔炼渣型优化实验

刚果（金）某地区经浮选得到的氧化铜精矿，含铜28.39 %，矿石中的铜主要赋存在孔雀石中。在实际生产中，采用鼓风炉还原熔炼处理该类氧化铜精矿，存在熔炼温度较高、氧化钙添加量大、熔炼渣含铜偏高的问题，为此，进行渣型优化实验研究，考察了还原焦比、CaO:SiO2比和氧化亚铁加入量对氧化铜精矿还原熔炼的影响。结果表明，在还原熔炼时，焦比主要影响粗铜产率和铜回收率，CaO:SiO2主要影响渣中铜含量，熔炼温度是影响渣黏度的主要因素。在还原焦比为5 %，选择酸性熔炼渣型，渣中CaO:SiO2为0.4-0.55，FeO:SiO2为0.13条件下，渣含铜可降至0.4 %以下，铜回收率在98 %以上。     

Structural modification of aminoclay for catalytic applications

Abstract

An eco-friendly catalyst system was synthesized using three step reaction. The Cu nanoparticles bridged aminoclay catalyst was analyzed using various analytical techniques. The structure of the catalyst was confirmed by FTIR and XRD. The synthesized catalyst system was used for the reduction of p-nitrophenol (NP), Cr(VI), and fluorescein (Flur) dye individually, as well as in their mixture forms. The k_app value was computed to access the efficiency of the catalyst. The results indicated that the k_app value of the individual system is higher than that of the mixture systems due to the absence of the complex formation reaction. The catalytic performance of the catalyst was also tested for the Schiff base (SB) formation between poly(ethyleneglycol) (PEG) and aniline (ANI) in an oxygen atmosphere. The ¹H-NMR spectroscopy result indicates that the present catalyst system produced 86% yield.     

超生雾化降尘研究及应用

为解决某矿破碎筛分车间粉尘污染问题，采用喷嘴雾化理论设计喷嘴雾化降尘实验，并根据实验结果在该矿破碎筛分车间应用了超声雾化降尘技术。实验及应用结果表明：超声雾化发生器的液体雾化装置，气体辅助雾化装置和雾束形成器的几何结构影响喷雾的雾化参数与流量特性，液体雾化器与气体辅助雾化装置影响液体初次破碎与雾化，雾束形成器影响雾滴的二次破碎与约束液束形态；超声雾化发生器的气液比与气液压力比存在幂函数关系，幂指数为-1.09；雾滴粒径越小，雾滴的降尘效率越高，当雾滴D50为23 μm时，雾滴的降尘效率在94%以上；在破碎筛分车间振动筛给料皮带和筛上皮带受料点布置超声雾化发生器，超声雾化发生器开启后，车间内粉尘浓度降低至586～10.54 mg/m3，降尘效率在71.38%以上。