Synthesis of Chemical Modified β-cyclodextrin and its Inclusion Behavior in Alcohol/Water Mixed Solvents

Abstract

The chemical modified β-cyclodextrin(CD), which bears a fluorophore group — N,N-dimethylamino-chalcone (DMAC), was synthesized. The self-inclusion behavior of this compound in aqueous solution and in alcohol/water mixed solvents was investigated in detail, and compared with the inclusion system of non-modified CD with free DMAC molecule. The results showed that a deep self-inclusion complex was formed for this compound in aqueous solution and had the ability to recognize different organic molecules by two fully different modes: “in-out” and “co-inclusion” mechanisms. The inclusion behavior of these systems in various ratio of alcohol/water mixture as solvents was investigated. The results indicated that the self-inclusion complex has a higher stability in alcohol/water mixed solvents than that in the case of non-modified CD. The chalcone group appended at β-CD enabled the host as a sensitive probe to study the inclusion behavior of CD.     

非线性Black-Scholes模型下算术平均亚式期权定价问题

在非线性Black-Scholes模型下,研究了算术平均亚式期权定价问题.首先利用单参数摄动方法,将亚式期权适合的偏微分方程分解成一系列常系数抛物方程.其次通过计算这些常系数抛物型方程的解,给出了算术平均亚式期权的近似定价公式.最后分析了近似结论的误差估计,并通过数值算例验证了所得近似结论的合理性.     

基于傅立叶变换的SVJ模型的欧式期权定价

为了更加精确的计算期权价格,将结合随机波动和跳扩散模型(以下简称SVJ模型)以更好的描述期权标的资产价格过程,然而这样的价格过程无法得到概率密度函数的封闭形式,而只能得到包含特殊函数和无限求和的复杂的表达式.不过它们的特征函数都是封闭且是唯一的,因而可以通过它们的特征函数,并运用两种傅立叶变换的方法来求出期权价格.其中FFT算法计算的结果将与Monte Carlo模拟得出的结果进行比较,然后再将SVJ模型的计算结果和Black-Scholes模型进行比较.     

Growth characteristics of spherical titanium oxide nanoparticles during the rapid gaseous detonation reaction

The nanosize grain growth characteristics of spherical single-crystal titanium oxide (TiO₂) during the rapid gaseous detonation reaction are discussed. Based on the experimental conditions and the Chapman–Jouguet theory, the Kruis model was introduced to simulate the growth characteristics of spherical TiO₂ nanoparticles obtained under high pressure, high temperature and by rapid reaction. The results show that the numerical analysis can satisfactorily predict the growth characteristics of spherical TiO₂ nanoparticles with diameters of 15–300 nm at different affecting factors, such as concentration of particles, reaction temperature and time, which are in agreement with the obtained experimental results. We found that the increase of the gas-phase reaction temperature, time, and particle concentration affects the growth tendency of spherical nanocrystal TiO₂, which provides effective theoretical support for the controllable synthesis of multi-scale nanoparticles.     

Importance of verifying queue model assumptions before planning with simulation software

This case study uses empirical data gathered at an Australian refinery to verify the assumptions for queue distributions before using special-purpose software to plan the off-road-truck hauling of titanium dioxide to a refinery (n = 773). Easy-to-use spreadsheet software is utilized to verify assumptions for queue models. Managers are able to make decisions based on economic implications of queue models to avoid making costly planning mistakes. Analysts can use nonparametric hypothesis-testing techniques to verify distribution assumptions for optimization without having to write hard-to-maintain and complex algebraic linear equations or nonlinear search routines.     

Online Solid-Phase Extraction of Cd(II), Cu(II), and Co(II) Using Covalently Attached Bis(salicylaldimine) to Silica Gel for Determination in Food and Water by Flame Atomic Absorption Spectrometry

In this study, a novel sorbent material bearing a bis(aldimine) group was designed and successfully synthesized by covalently bonding a 2-[N,N′-bis(salicylaldimine)]aminoethyl amine ligand to the silica gel surface that was characterized by carbon, hydrogen, and nitrogen elemental analysis, thermogravimetric analysis, and the Fourier transform infrared spectroscopy technique. The sorbent was used for the online solid-phase extraction (SPE) of Cd(II), Cu(II), and Co(II) ions for their determination at trace concentration levels by flame atomic absorption spectrometry. The effective factors for the online SPE such as the pH and the flow rate of the sample solution, and type, volume, and flow rate of eluent were investigated. The concentration levels of Cd(II), Cu(II), and Co(II) were measured in certified reference materials including Virginia tobacco leaves (CTA-VTL-2) and water-trace elements (NWTM-15.2) to validate this method. The metal levels in environmental water were determined by this method, and the values were checked by spiking and recovery experiments and independent analysis by inductively coupled plasma-mass spectrometry. The adsorption capacities of the sorbent were found to be 41.2, 31.6, and 25.6?mg/g for Cd(II), Cu(II), and Co(II), respectively. This method was also successfully used for the determination of Cd(II), Cu(II), and Co(II) concentrations in rice and molasses.     

Experimental study and numerical modeling of brittle fracture of carbonate rock under uniaxial compression

The brittle carbonate rock taken from the Tarim Oilfield is tested in laboratory under uniaxial compression. The acoustic emission (AE) is used to monitor the microcracking activity in rock during the experiment. Moreover, the 3D tomograms of carbonate rock after uniaxial compression are obtained by using CT imaging technology, which indicates that microcracks mutually interconnect and eventually form macroscopic fractures after failure. The PFC2D is used to model the behavior of brittle rock including microcracks propagation. The stress–strain curve and cracks distribution in rock model are obtained from the PFC simulation. The numerical results agree with the experimental test well.     

蒙特卡罗计算中颗粒型燃料的随机分布模型比较

高温气冷堆是新一代反应堆系统的热门候选堆型，已经受到国际上越来越多的关注。为设计和分析这种堆型，因其特有的包覆颗粒燃料引入了双重非均匀性，需要应用随机分布模型。对粗网格模型、细网格随机(FLS)模型、随机顺序添加(RSA)模型、子网格随机(Sub-FLS)模型和Metropolis模型等进行了研究，通过计算分析比较给出了各种模型的优缺点。结果表明:子网格随机模型和连续的RSA模型非常接近参考值，但是连续RSA模型的建模时间随着燃料体积份额的增加连续快速上升。 Key words: coated particle fuels; stochastic transport model; Monte Carlo; random distribution