Hydrogeochemical Processes and Inverse Modeling for a Multilayer Aquifer System in the Yuaner Coal Mine,Huaibei Coalfield,China

Coal mining can dramatically change hydrogeological conditions and induce serious environmental problems. Fifty groundwater samples were collected from the main aquifers in the Yuaner coal mine (Anhui Province, China). The results show that the main hydrogeochemical processes in the mine include dissolution, precipitation, pyrite oxidation, desulfurization, and cation exchange. The Neogene porous aquifer is affected by groundwater flow conditions; its main hydrogeochemical processes are dissolution of carbonate minerals and gypsum, and cation exchange. The Permian coal measure’s fractured sandstone aquifer was confirmed to be controlled by the region’s geological structure; its main hydrogeochemical processes are desulfurization and cation exchange. The Carboniferous Taiyuan limestone aquifer was determined by both groundwater flow conditions and regional geological structure; its main hydrogeochemical processes are dissolution of carbonate minerals and gypsum, pyrite oxidation, and cation exchange. Additionally, hydrogeochemical inverse modeling of the groundwater flow path confirm the hydrochemistry results and principal component analysis.

     

中药桂枝总黄酮的提取工艺研究

优化桂枝总黄酮的提取工艺，建立桂枝的提取和含量测定方法。通过单因素试验，考察提取方法、提取溶剂浓度、提取体积、提取时间对药材总黄酮含量的影响，采用正交试验，优化提取工艺条件，筛选出桂枝总黄酮的最佳提取工艺。总黄酮最佳提取工艺为75%乙醇、料液比1:40、回流提取时间60 min。该方法能有效测定桂枝药材总黄酮的含量，为该药材的质量标准研究提供一定的科学依据。本方法重复性较好、方法稳定、可行。     

Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl₃) and hexamethyldisilazane (HN(SiMe₃)₂) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl₃ and HN(SiMe₃)₂ to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl₃ and HN(SiMe₃)₂ alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl₃ with more heat released compared to that for the introduction of HN(SiMe₃)₂. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions.     

一株产羧酸酯酶菌的鉴定及酯酶特征的研究

目的:鉴定中国白酒发酵过程中的微生物种类，研究关键酶的特征与作用机制有利于提高白酒的优质品率。方法:本研究用形态学和生理学、16S rRNA、gyr B基因和antiSMASH分析的方法对酒曲中的一株微生物进行了验证；对该菌株的特性进行了研究，采用分子建模的方法获得了羧酸酯酶的3D模型，用分子对接的方法探讨了该菌株的羧酸酯酶的机理。结果:该菌株为产羧酸酯酶的革兰氏阴性菌Pb1（MW580690）；该菌株呈现典型的S型生长曲线，产物曲线为S型，羧酸酯酶活化最优pH范围为5.0~9.0。分子对接结果显示Phe21A为该酶具有催化活性的主要氨基酸，水解三丁酸甘油酯为丁酸和甘油。分子对接结果显示三丁酸甘油酯经过构象变化被转移到催化中心后，进一步被加工；酶的亲水性和疏水性的相互作用表面有利于配体向下转移，进而从疏水性通道释放产物到的酶表面。结论:产羧酸酯酶的菌株为贝莱斯芽胞杆菌，并为羧酸酯酶水解三丁酸甘油酯类物质的底物识别、转移和催化机理提供了新的见解。     

变形铝合金表面锆基化学转化膜的研究现状

化学转化膜是金属表面主要的处理方法之一，具备良好的附着力和耐蚀性，能为铝合金提供一定的临时防护。传统的六价铬酸盐化学转化膜在日渐严苛的环保压力下已经逐渐淘汰，取而代之的是近几年发展迅猛的三价铬及无铬锆基化学转化膜。铝合金可分为铸造铝合金和变形铝合金，按照所含主要合金元素和热处理状态可分为若干个系列和型号。本文选取几种典型的变形铝合金，综述了不同铝合金微观组织对转化膜成膜过程的影响，化学转化液添加剂、预处理和后处理工艺对转化膜性能的调控及作用机理，以及几种典型商业钝化剂在变形铝合金表面的应用。总结了目前变形铝合金表面锆基化学转化膜仍面临的问题和发展趋势，未来化学转化膜需在满足新型铝合金发展要求的基础上，通过不同有机、无机添加剂以及外场作用对转化膜的成膜均一性、完整性进行调控，以提高转化膜的综合性能。     

磁悬浮控制力矩陀螺高速转子的高精度位置控制

在受到陀螺效应、动框架效应等影响后产生的磁力非线性问题是磁悬浮控制力矩陀螺(MSCMG)高速转子位置精度下降的主要因素。为解决以上问题,提高转子位置精度,本文分析了转子所受磁力的特性,建立了转子系统非线性动力学模型,提出了神经网络滑模控制方法。设计滑模控制律,采用径向基函数神经网络逼近控制律中的非线性模型,自适应算法根据误差在线调整神经网络的权值,同时可以保证整个系统的稳定性。仿真和实验结果表明,所提出方法的转子位置精度达到99%,稳态误差为0.000 2 mm。神经网络滑模控制可以实现MSCMG转子系统的高精度位置控制。     

三种硫化氢吸收剂吸收效率对比及碘酸钾体系吸收条件优化研究

硫化氢具有腐蚀性与毒性，采用吸收剂吸收硫化氢气体是重要的脱硫处理方式。不同的吸收剂在吸收效率上存在较大差别。首先对比了三氯化铁体系、碘酸钾体系和碱性铁氰化钾体系三种不同硫化氢吸收剂的吸收效率。在此基础上重点优化了碘酸钾体系吸收条件参数，讨论了包含浓度、温度、pH、气体流量及时间等因素对硫化氢吸收效率的影响。并建立了四因素三水平正交试验研究较优吸收条件，得到正交试验优化吸收条件为：温度55℃，pH 6.01，硫化氢流量0.3 L·min^-1，吸收时间1 min，该条件下8%（质量）碘酸钾体系的三级吸收效率为51.56%。研究结果对硫化氢吸收处理提供了理论参考，也为间接电解法循环处理研究提供了支持。