共价有机骨架/碳纳米管复合材料中锂离子吸附与传输特性的分子模拟

利用分子模拟方法对共价有机骨架 (covalent organic framework, COF)/碳纳米管(carbon nanotube, CNT) 复合材料 COF@CNT 中锂离子 (Li$^{+})$ 的吸附与传输特性开展研究, 明确了 Li$^{+}$ 的吸附位点与吸附顺序, 得到了相应的吸附能, 并观察 COF@CNT 的表观形貌变化. 当达到饱和吸附状态时, COF@CNT 的体积变化率仅为 0.25, 平均电压保持在 2.00 V 以上, 而理论容量则高达 1 402.47 mAh/g. 此外, Li$^{+}$ 在 COF@CNT 内部的电导率大于其在单纯 CNT 中电导率的实测值. 模拟结果可为此类体系的实际应用提供理论基础.     

低氧LiF–NdF3熔盐体系阳极过程的电化学行为研究

The oxidation of oxygen ions and the generation of an anode effect at a low oxygen content of 150 mg/kg were discussed in this paper. Cyclic voltammetry and square-wave voltammetry tests were conducted to explore the anodic processes of LiF–NdF₃ melt after a lengthy period of pre-electrolysis purification at 1000°C (during which the oxygen content reduced from 413 to 150 mg/kg). The oxidation process of oxygen ions was found to have two stages: oxidation product adsorption and CO/CO₂ gas evolution. The adsorption stage was controlled by diffusion, whereas the gas evolution was controlled by the electrochemical reaction. In comparison with oxygen content of 413 mg/kg, the decrease in the amplitude of the current at low oxygen content of 150 mg/kg was much gentler during the forward scanning process when the anode effect occurred. Fluorine-ion oxidation peaks that occurred at about 4.2 V vs. Li/Li+ could be clearly observed in the reverse scanning processes, in which fluorine ions were oxidized and perfluorocarbons were produced, which resulted in an anode effect.     

Molecular and morphological identification of two new African species of Dugesia (Platyhelminthes,Tricladida, Dugesiidae) from Cameroon

The paper describes two new Dugesia species collected from the rivers Messassi and Ntsetsensooh in Cameroon, representing the first planarian flatworms documented from this country. Based on morphological data, the new species Dugesia bijuga Harrath & Sluys, sp. nov. is characterized mainly by the presence of two diaphragms, a barrel-shaped penis that is traversed by numerous ducts of penis glands and is provided with a short nozzle, and the presence of two atrial folds. The other new species, Dugesia pustulata Harrath & Sluys, sp. nov., is characterized mainly by absence of a penis bulb, presence of a large, elongated and weakly muscular seminal vesicle, and by the ventroposterior section of the bursal canal being thrown into distinct folds. The phylogenetic position of the two new species was determined through a molecular phylogenetic tree, based on a mitochondrial and a nuclear gene, including species from the major geographical range of distribution of the genus Dugesia. The phylogenetic tree revealed that the Cameroon lineage does not constitute a monophyletic group with the other Afrotropical species; it also showed that the African continent may house a great diversity of Dugesia species that still remains to be discovered.

urn:lsid:zoobank.org:pub:007441A5-F037-4950-9F5B-AD6ED12A40ED     

‘Revolutions,philosophical as well as civil’: French chemistry and American science in Samuel Latham Mitchill’s Medical Repository

ABSTRACT

From 1797 to 1801 a controversy played out on the pages of the Medical Repository, the first scientific journal published in the United States. At its centre was the well-known feud between the followers of Antoine Lavoisier and Joseph Priestley, the lone supporter of the phlogiston model. The American debate, however, had more than two sides. The Americans chemists, Samuel Latham Mitchill and Benjamin Woodhouse, who rushed to support Priestley did not defend his scientific views. Rather, as citizens of a republic, they defended his right to have them. They also castigated the assertions of the “French chemists,” whose claims that the new chemistry obviated debate seemed unsettlingly similar to the dictatorial ambitions of the French state. Using the Medical Repository, Mitchill and Woodhouse sought a compromise that validated the new chemistry, but united it with a more egalitarian form of discourse. The desired balance eluded them. Priestley proved too stubborn, and as the French Revolution descended into dictatorship and war, Mitchill and Woodhouse came more to realize that truly prising French chemistry from the culture of the revolutionary era. The episode left Mitchill and Woodhouse disillusioned with chemistry and hoping to redirect scientific enthusiasm to more pious ends.     

快速真空变压吸附制氧的排放气充压过程研究

测试了微型制氧吸附剂的平衡吸附特性,在此基础上选出适合快速真空变压吸附制氧的吸附剂. 针对传统的单塔两步快速变压吸附制氧含量低问题,提出了提高产品气氧含量的单塔快速变压吸附制氧的排放气和原料气组合充压流程,并对该流程进行实验研究. 结果表明:在单塔快速真空变压吸附制氧过程中,采用排放气和原料气组合充压流程可以有效提高产品气氧含量. 充压前排放气的压力和氧含量是影响产品气氧含量的关键参数,采取合适的排放气压力和较高氧含量的排放气可获得更高的产品气氧含量. 在吸附和解吸压力分别为240 kPa和60 kPa时,采用排放气和原料气组合充压的快速真空变压吸附流程可获得氧体积分数90%的产品气,其产氧率为325. 08 L·h-1·kg-1 .     

NH2自由基电子基态及激发态解离通道的静力学分析

本文利用原子分子反应静力学的基本原理,研究了NH2自由基体系的可能解离通道,得到了NH2自由基电子基态2B1及第一激发态2A1合理的解离通道。     

纯铁液凝固过程的分子动力学模拟

为了研究纯铁熔液体系在凝固过程中的演变行为,采用分子动力学方法和带有范德瓦尔斯项的长程F-S势函数对液态Fe凝固过程的结构和能量演变进行模拟。径向分布函数、原子均方位移函数和Fe原子的聚集状态变化图像显示,凝固过程是Fe原子由无序向短程有序再向长程有序的变化过程,其中的短程有序结构可能是Fe原子组成的团簇结构;凝固过程中体系的总能量变化呈逐渐降低,Fe单质完美晶体的凝固温度约为2400 K。     

2010年贵州省南部森林生态系统固碳释氧服务功能价值评估

以贵州南部三州为研究区,运用连续生物量转换因子法,基于2010年森林清查小班数据,估算了2010年贵州南部森林植被净生产力,以此为基础,计算了2010年贵州南部森林生态系统固碳释氧价值量。结果显示:2010年,贵州省南部森林生态系统年固碳量861.39×104t C,年释氧量2 306.07×104t,单位面积年固碳量1.95t C/(hm2·a),单位面积年释氧量5.21t/(hm2·a);贵州省南部森林生态系统年固碳价值103.37亿元,年释氧价值230.61亿元,总价值333.98亿元;杨树单位面积固碳释氧价值最强,达到0.86万元/(hm2·a)和1.92万元/(hm2·a);柏木单位面积固碳释氧能力最弱,分别仅有0.10万元/(hm2·a)和0.23万元/(hm2·a);固碳释氧价值在空间上呈现出由西向东递增趋势,这与贵州南部的水热条件分布基本一致。     

Y/SBA-15的微波水热法合成及其表征分析

研究了微波水热法合成微孔-介孔复合分子筛Y/SBA-15,以XRD为表征手段,考察了pH、二氧化硅与P123物质的量比、微波功率、搅拌速度和晶化温度等因素对复合分子筛结构的影响.经过研究确定了复合分子筛的合成条件:pH值为2.5,SiO2和P123物质的量比为58,微波功率为200W,搅拌速度为250r/min,晶化温度为120℃.采用氮气吸附脱附、透射电镜等分析方法对复合分子筛进行了表征分析,结果表明:合成产物同时具有微孔介孔结构特征,结晶度良好、短棒状大小均匀,微孔、介孔2种孔径分布均匀,平均孔径为4.050 13nm,孔壁厚度为2.2nm,BET孔容为0.350 525cm3/g.