Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity

The {100} facet of single-crystalline TiO₂(B) is an ideal platform for inserting Li ions, but it is hard to be obtained due to its high surface energy. Here, the single-crystalline TiO₂(B) nanobelts from H₂Ti₃O₇ with nearly 70% {100} facets exposed are synthesized, which significantly enhances Li-storage capacity. The first-principle calculations demonstrate an ab in-plane 2D diffusion through the exposed {100} facets. As a consequence, the nanobelts can significantly accommodate Li ions in LiTiO₂ formula with specific capacity up to 335 mAh g⁻¹, which is in good agreement with the electrochemical characterizations. Coating with conductive and protective poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), the cut-off discharge voltage is as low as 0.5 V, leading to a capacity of 160.7 mAh g⁻¹ after 1500 cycles with a retention rate of 66% at 1C. This work provides a practical strategy to increase the Li-ion capacity and cycle stability by tailoring the crystal orientation and nanostructures.     

Sparse non-convex Lp regularization for cone-beam X-ray luminescence computed tomography

Cone-beam X-ray luminescence computed tomography (CB-XLCT) is an attractive hybrid imaging modality, and it has the potential of monitoring the metabolic processes of nanophosphors-based drugs in vivo. However, the XLCT imaging suffers from a severe ill-posed problem. In this work, a sparse nonconvex L_p (0?p?L₁ regularization. Further, an iteratively reweighted split augmented lagrangian shrinkage algorithm (IRW_SALSA-L_p) was proposed to efficiently solve the non-convex L_p (0?p?p-values (1/16, 1/8, 1/4, 3/8, 1/2, 5/8, 3/4, 7/8) in both 3D digital mouse experiments and in vivo experiments. The results demonstrate that the proposed non-convex methods outperform L₂ and L₁ regularization in accurately recovering sparse targets in CB-XLCT. And among all the non-convex p-values, our L_p(1/4?p?相似文献   

某污水处理厂MBR膜系统改造与运行管理

某污水处理厂设计规模为10万t/d,采用AAO+MBR工艺,设计出水水质满足《城镇污水处理厂污染物排放标准》(GB 18918-2002)一级A标准。由于运行时间较长,MBR运行系统存在产能下降、膜丝断丝脱落、污堵和清洗频次以及强度增加等问题,严重影响正常生产运行。针对MBR系统运行中存在的问题,文中提出具体改造建议,并总结运行经验,进一步优化MBR膜系统的运行维护管理,为其他污水厂MBR膜系统运行问题提供解决思路和维护管理经验。     

基于儒可夫斯基变换的涡轮钻具叶片设计及性能分析

为提高涡轮钻具叶片使用性能和创新叶片设计理论,提出了基于儒可夫斯基保角变换法与经典水力翼型相结合的涡轮钻具叶片设计新方法,以?127涡轮钻具叶片为研究对象,运用搭建的涡轮钻具叶型参数化设计平台和自主设计的涡轮钻具性能测试台架,完成了5种翼型的造型设计,研究了5种叶片流场性能,开展了设计叶片的性能测试实验,对比分析了设计叶片与塔里木油田某型在役?127涡轮叶片的实际效能。实验及仿真结果表明,基于新方法设计的NACA-0012翼型加厚叶片在600 r/min转速及15 L/s流量的设计工况下,其单级扭矩达5.83 N·m,较相同条件下某在役?127涡轮的单级扭矩提高约6.4%,级效率提高约1.16%,整体性能有了实质提升。     

高盐高有机制药废水污泥电渗透高干脱水

为研究高盐高有机制药废水污泥的电渗透脱水效果，深入认识化学污泥的电脱水过程，本文采用电渗透高干脱水技术对经抽滤脱水的高盐高有机制药废水化学污泥进行深度脱水，考察了泥饼初始pH的改变对污泥电渗透高干脱水过程中阴阳极污泥的含水率、电流、电导率、pH、zeta电位与能耗的影响，验证了对高盐高有机制药废水污泥实行电渗透高干脱水的可行性，解析了化学污泥电渗透脱水过程的机制。结果表明，泥饼pH为2、3、4时，zeta电位为正值，电渗流反向流动，无法脱水；pH增至5时，zeta电位为负值，电渗流从阴极脱除，污泥含水率从53.2%降至44.8%，脱水效果最好；但pH增至6时，脱水量有所降低。污泥电导率随pH的增加而降低。pH为5时初始电流最大。脱水15min时，即污泥含水率降至45.5%时，能源利用率最高。     

基于强化学习的电力市场信息披露程度对市场成员交易行为影响研究

基于信息披露的主体框架，分析披露体系中具体的供需信息对于市场成员的引导作用。建立日前市场的双层竞价优化模型，采用强化学习的方法，通过市场中有无关键供求信息披露对于发电商报价预期的影响，推演模拟不同信息披露程度下发电商报价行为，然后从策略演化过程、策略偏离度以及策略收敛速度3个角度进行信息披露程度对市场成员交易行为影响的定量分析，验证市场供需信息的发布程度对于市场成员的引导作用，最后基于推演结果进行总结，并对我国信息披露的建设提出建议与思考。     

带有方形肋及双倾斜肋片的细通道内流动、传热和熵产分析

为了探究带有方形肋及双倾斜肋片细通道的流动换热及熵产特性，设计了2种带有方形肋及双倾斜肋片的组合细通道(MCDS-L, MCDS-R)，然后采用数值模拟的方法分析其流动特性、传热特性和熵产特性，并将其分析结果同2种方形肋细通道(MCS-L, MCS-R)和一种双倾斜肋片细通道(MCD)进行对比。结果表明，在所研究的雷诺数范围内，组合通道的摩擦阻力系数基本一致且均高于其他3组通道(MCS-L, MCS-R, MCD) 。此外，组合通道的努塞尔数均高于其他3组通道，而熵产增大数均低于其他3组通道。其中，MCDS-L通道的努塞尔数最大，熵产增大数最低。表明MCDS-L通道的换热效果最佳，能量的综合利用程度最高。研究成果为微细通道热沉的设计提供参考。     

Computational Analysis of the Solid-State and Solvation Properties of Carbamazepine in Relation to its Polymorphism

The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.