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.

     

供水管网DMA优化分区设计方案

实施独立计量分区(district metered area,DMA)是辅助供水管网管理和漏损识别的重要手段.图划分算法是进行DMA分区的方法之一,常规图划分算法应用中,存在解空间受限、分区后原水流状态易发生较大改变、形成较多串联分区(对流量计算不利)的缺点.在常规图划分算法基础上进行了改进:粗化阶段按照特定规则匹配、合并非输水干管两端的节点,形成简化的管网拓扑结构;分区阶段得到管网初步分区方案;细化阶段提出基于贪心算法、枚举算法、蒙特卡洛算法的分区调整方法,结合改进的仪表安置方法、水力模拟、优劣解距离法(technique for order preference by similarity to an ideal solution,TOPSIS),对分区方案进行调整.将该方法应用于YX市供水管网,成功进行了分区.     

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。     

浅析后现代主义思潮下网络语言的艺术导向

一直以来,学术界都认为后现代主义的语言行为是属于一种充满质疑、反思和批判的认知范式.而对于提倡通俗文艺的今天,它所代表的意义又具有鲜明的时代特征.其独特的语言方式,既充满对美好事物的期盼,又对当下一些社会现象进行了有力批判.同时也应认识到后现代主义思潮下网络语言的局限性.因此,本文的重点是寻求一种对时代发展具有推动作用的语言行为,以此来实现大众更好的交流,进而推动社会政治经济文化和谐发展.     

床温及SNCR脱硝对CFB锅炉NOx和N2O排放影响的试验研究

为了研究循环流化床（CFB）锅炉燃用无烟煤时床温及选择性非催化还原（SNCR）脱硝对于NO和N2O排放的影响，在1 MW CFB试验装置上开展了试验研究。结果表明:床温由880 ℃提高到970 ℃，NO排放质量浓度由119.5 mg/m3上升到226.0 mg/m3，N2O排放质量浓度由216.0 mg/m3降低到102.2 mg/m3；在氨氮摩尔比（NSR）为0~3.7之间，随着NSR的提高，脱硝效率从0上升到50.72%；进一步提高NSR到5.2，脱硝效率升至53.61%，增加较为缓慢；随着NSR从0提高到1.7，N2O排放质量浓度由84.3 mg/m3上升至118.3 mg/m3，增长较为缓慢；进一步提高NSR至2.0，N2O排放质量浓度上升至187.7 mg/m3，增长速度提高；继续提高NSR至5.2，N2O排放质量浓度上升至381.4 mg/m3；CFB锅炉采用以尿素为还原剂的SNCR脱硝工艺时，单纯通过加大NSR来提高脱硝效率不仅效果有限，过量喷入的还原剂会造成N2O排放量的显著提高。     

喷油方式对斜齿轮齿面温度的影响

为探讨喷油方式对齿面温度的影响，以斜齿轮为研究对象，通过CFD仿真和试验研究不同喷油方式对斜齿轮齿面温度的影响。针对斜齿轮喷油润滑过程的特点，分析其齿面摩擦生热量，简化轮齿喷油润滑计算模型，并基于CFX进行齿面对流换热仿真研究，得到了不同喷油方式下的齿面温度；基于功率开放式斜齿轮试验平台，对不同喷油方式下的齿面温度进行了试验测量，与仿真计算结果进行对比分析。结果表明：在高速重载斜齿轮传动系统中，啮出侧喷油润滑的方式比啮入侧喷油润滑方式的冷却降温效果要好。