基地建设经验交流

南京大学化学化工学院于1991年被国家教委批准为首批国家基础科学研究和教学人才培养基地."基地方案的制定和实施"于1997年获国家教委优秀教学成果二等奖,并于1998年在国家自然科学基金委组织的中期评估中获得优秀基地的称号,1999年又以优异成绩顺利通过了教育部组织的基地挂牌验收.     

On the force field optimisation of $$\beta$$ β -lactam cores using the force field Toolkit

Journal of Computer-Aided Molecular Design - When employing molecular dynamics (MD) simulations for computer-aided drug design, the quality of the used force fields is highly important. Here we...     

Instability analysis for semi-active control systems with semi-active inerters

Nonlinear Dynamics - In this paper, the instability of semi-active control systems caused by the utilization of semi-active inerters is analyzed. The purpose of this study is to demonstrate the...     

一种具有长寿命三线态的锌卟啉-苝酰亚胺超分子的光物理过程

通过吡啶基与金属锌卟啉的配位作用, 合成了一种新型卟啉-苝酰亚胺超分子配合(TPPZn-BPHPDI), 通过核磁共振氢谱确认了超分子体系的形成. 采用荧光滴定方法测得锌卟啉与苝酰亚胺配位作用的平衡常数为5.32×10⁴ L/mol. 纳秒瞬态荧光光谱和瞬态吸收光谱显示, 超分子体系内存在着从卟啉三线态向苝酰亚胺三线态的能量传递过程, 产生了寿命长达101 μs的苝酰亚胺三线态分子.     

《化学原理》简介

“十五”国家级规划教材《化学原理》(上、下册),历经数年的教学实践和修改,最近由高等教育出版社出版发行。这本教材凝聚着数位作者多年的教学经验和体会,同时根据近些年来基础化学课程体系的改革,在教学内容和教学方法等方面做了较大的调整和创新。几十年来,我国化学基础课(包括实验)体系是“四大化学”,即无机化学、分析化学、有机化学和物理化学。该体系中4门基础课分别依托19世纪末形成的4个二级学科。由于科学的发展和交叉,更由于本科教学思想的改变,该体系有许多可以改进之处。自1996年,南京大学、复旦大学、浙江大学、苏州大学等19…     

Experimental Comparison of Methane Pyrolysis in Thermal Plasma

Methane pyrolysis via thermal plasma was investigated experimentally on a 2 kW DC arc plasma setup in argon atmosphere. Two widely applied methane pyrolysis profiles, i.e., pre-mixing methane and argon before fed into plasma torch, and injecting methane into pure argon plasma jet at torch outlet, were compared. Performances of methane pyrolysis regarding to methane conversion, acetylene selectivity, acetylene specific energy requirement (SER), and plasma stability were concluded. Results showed that pre-mixing methane and argon before fed into plasma torch would be efficient in converting methane and acetylene production, with higher conversion of methane and lower SER to acetylene at a given specific energy. Also, methane in arc zone would cause periodic fluctuations of plasma voltage and power, which could be reduced by controlling methane fraction in feed. On the other hand, when methane was injected into argon plasma jet at torch outlet, the energy efficiency in converting methane and producing acetylene would be lower. And the plasma would barely participate in the reaction other than providing heat, but the erosion of electrode was much slower and slighter. It was also validated that the SER of acetylene was limited by the thermal loss of the setup due to size-effect of reactor.     

Multi-player stopping games with redistribution of payoffs and BSDEs with oblique reflection

We examine the connections between a novel class of multi-person stopping games with redistribution of payoffs and multi-dimensional reflected BSDEs in discrete- and continuous-time frameworks. Our goal is to provide an essential extension of classic results for two-player stopping games (Dynkin games) to the multi-player framework. We show the link between certain multi-period m$m$-player stopping games and a new kind of m$m$-dimensional reflected BSDEs. The existence and uniqueness of a solution to continuous-time reflected BSDEs are established. Continuous-time redistribution games are constructed with the help of reflected BSDEs and a characterization of the value of such stopping games is provided.     

Kinetics of Transesterification of Methyl Acetate and Ethanol Catalyzed by Ionic Liquid

The kinetic behavior and chemical equilibria for the transesterification of methyl acetate with ethanol to ethyl acetate and methanol catalyzed by an ionic liquid 4‐(3‐methyl‐1‐imidazolio)‐1‐butanesulfonic acid hydrogen sulfate ([HSO₃‐bmim]HSO₄) were studied experimentally. The relationship of chemical equilibrium constants versus temperature was obtained from kinetic experimental data. The effects of temperature, initial molar ratio of ethanol to methyl acetate, and catalyst concentrations were investigated. Based on the reaction mechanism, an ideal homogeneous (IH) and two nonideal homogeneous models (NIH‐1, NIH‐2) were proposed to correlate the reaction kinetic data. The activity coefficient of the catalyst was considered in NIH‐2 but not in the NIH‐1 model. The nonideal homogeneous model NIH‐1 was the best model to describe the kinetics of the transesterification reaction, and the accuracy of the reaction kinetic model is not improved by considering the effects of catalyst on the activities of the reactants and products.     

电感耦合等离子体质谱（ICP-MS）法测定黄精中15种稀土元素及其指纹图谱绘制

为了准确测定黄精中稀土元素的含量,采用电感耦合等离子体质谱（ICP-MS）法同时测定黄精中15种稀土元素（La、Ce、Pr、Nd、Pm、Sm、Eu、Gd、Tb、Dy、Ho、Er、Tm、Yb、Lu）的含量,进而绘制稀土元素指纹图谱,以稀土元素含量的平均值构建黄精稀土元素标准指纹图谱,作为鉴定黄精中药材的参考依据。黄精样品采用微波消解法处理后,通过在线引入内标溶液,采用ICP-MS法测定15种稀土元素的含量,采用OriginPro 2021绘制稀土元素指纹图谱和进行主成分分析,采用SPSS 26.0进行聚类分析。15种稀土元素的线性关系、重复性、精密度良好,平均加标回收率在97.0%~103.3%,相对标准偏差小于等于1.74%。黄精中Ce、La、Nd含量相对较高,Ce含量为53.02～2004.58 μg/kg,位居第一。聚类分析和主成分分析结果表明,样品聚为2类,同一产地的样品能够较好地聚在一起。黄精药材中15种稀土元素的指纹图谱具有相似的分布形态,具有较强的特征性和一致性,相似度均大于0.950。该方法操作简单,准确可靠,能满足实验分析要求,可为黄精的质量控制和药理研究提供参考;建立的指纹图谱可用于黄精的鉴别。     

New method to constrain the relativistic free-streaming gas in the Universe

We discuss a method to constrain the fraction density f of the relativistic gas in the radiation-dominant stage, by their impacts on a relic gravitational waves and the cosmic microwave background (CMB) B-polarization power spectrum. We find that the uncertainty of f   strongly depends on the noise power spectra of the CMB experiments and the amplitude of the gravitational waves. Taking into account of the CMBPol instrumental noises, an uncertainty Δf=0.046$\mathrm{\Delta }f=0.046$ is obtained for the model with tensor-to-scalar ratio r=0.1$r=0.1$. For an ideal experiment with only the reduced cosmic lensing as the contamination of B  -polarization, Δf=0.008$\mathrm{\Delta }f=0.008$ is obtained for the model with r=0.1$r=0.1$. So the precise observation of the CMB B-polarization provides a great opportunity to study the relativistic components in the early Universe.