Combination of nuclear magnetic resonance spectroscopy and nonlinear methods to analyze the copolymerization of phosphonic acid derivatives

We demonstrate in this study that the combination of modern inline monitoring methods [here: inline nuclear magnetic resonance (NMR)] with simulations gains more exact and profound kinetic results than previously used methods like linearization without that combination. The ¹H-NMR spectroscopic data (more than 100 data points) are used to construct the copolymerization diagram. The reactivity ratios are obtained applying the van Herks nonlinear least square method. The examination of the radical copolymerization of 2-hydroxyethyl methacrylate (HEMA) with (2-{[2-(ethoxycarbonyl)prop-2-en-1-yl]oxy}ethyl) phosphonic acid (ECPPA) as important adhesive monomer used in dentistry yields reactivity ratios of r_HEMA = 1.83; r_ECPPA = 0.42. The copolymerization diagram reflects nonideal, non-azeotropic copolymerization. The sequence distribution of the obtained by Monte Carlo simulation indicates the generation of statistical copolymers. As an important finding, it is demonstrated that the repeating units responsible for etching and adhesion are arranged over the whole polymer chain, which is necessary to achieve proper functionality. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 48256.     

Modelling of black carbon statistical distribution and return periods of extreme concentrations

Eight datasets of 1-h black carbon (BC) concentrations measured in Warsaw agglomeration (Poland), at urban background and sub-urban sites, and in Racibórz, a small town in Upper Silesia district (regional background site) were analyzed to evaluate BC levels, daily profiles and statistical distributions of concentrations in Central-Eastern European region. The observed mean levels ranged from 1483 ng m⁻³ in suburban site during summer to 3358 ng m⁻³ in regional background site in winter. Observed diurnal patterns were bimodal in the locations dominated by traffic emissions, but unimodal, with elevated evening peak in individually heated residential area. Three theoretical frequency distributions were applied to fit analyzed datasets separately. The lognormal distribution was the most appropriate to represent the middle-range values, while the high concentrations were satisfactorily predicted by the type I two-parameter exponential distribution which was used to estimate the return periods of extreme concentrations for winter months.     

一种实用的多数据库量子信息检索协议

针对目前量子私有信息检索不能适用与云存储的多数据库问题,基于现在成熟的量子密钥分发方法,提出了一种适合在多数据库环境下,实用的量子私有信息检索协议。对于不同大小的数据库,协议可通过调节参数θ和k,在保证数据库安全及用户隐私的情况下,完成信息的检索。性能分析结果表明,协议的通信复杂度低,检索成功率高、易于实施。     

Notch radius effect on fracture toughness of ceramics pertinent to grain size

Unlike fracture toughness, the notch fracture toughness of a ceramic is not a constant; rather, it increases with the notch-root radius ρ in a notched specimen. In this study, by analyzing the fracture measurements of eight different notched ceramics with an average grain size G of 3–40 μm, a simple model describing the relation between the notch fracture toughness and fracture toughness is proposed as a function of the relative notch-root radius ρ/G. The normal distribution is incorporated to consider the inevitable scatter in measurements where fracture mechanisms and errors are present. The results demonstrate that the model can effectively predict the quasi-brittle fracture variation trend for ceramics, including the upper and lower bounds, with 96% reliability, from a normal distribution; thus, it can address virtually all of the experimental data. We also determined that the notch fracture toughness approximates the fracture toughness if ρ ≤ G.     

A Distribution‐freeCUSUMChart for Monitoring Variability of AutocorrelatedProcesses

We present a distribution‐free tabular cumulative sum chart for monitoring the variability of an autocorrelated process. A quantity known as the asymptotic variance parameter is employed as a measure of the variability, and a distribution‐free tabular cumulative sum chart is applied to variance estimates calculated from batches of nonoverlapping samples. The proposed chart is applicable to a stationary process with a general marginal distribution and a general autocorrelation structure. It also determines control limits analytically without trial‐and‐error simulations. The performance of the proposed chart is tested on stationary processes with both normal and nonnormal marginals with various autocorrelation structures. Copyright © 2014 John Wiley & Sons, Ltd.     

因素空间理论下基点分类算法研究

目前，基于因素空间理论的背景基提取算法计算过程复杂，初始化必须依赖各因素极值，基点数量提取冗余等原因，未能在应用中取得很好效果。为此，结合内点判别法和知识可继承、可扩展的思想，提出一种计算简单、初始化独立、基点数量小的改进的背景基提取算法。然后，利用改进的背景基提取算法构造出一种全新的数据分类算法-基点分类算法，基点分类算法以提取每一类样本的背景基为预测模型，再通过新定义的λ-背景基，优化预测模型。数值实验表明:基点分类算法原理简单、构造难度小、分类模型泛化能力强，预测能力准确率高，同时严格的模型限定区域又能为识别新类别提供新方法。     

Real-time organic aerosol chemical speciation in the indoor environment using extractive electrospray ionization mass spectrometry

Understanding the sources and composition of organic aerosol (OA) in indoor environments requires rapid measurements, since many emissions and processes have short timescales. However, real-time molecular-level OA measurements have not been reported indoors. Here, we present quantitative measurements, at a time resolution of five seconds, of molecular ions corresponding to diverse aerosol-phase species, by applying extractive electrospray ionization mass spectrometry (EESI-MS) to indoor air analysis for the first time, as part of the highly instrumented HOMEChem field study. We demonstrate how the complex spectra of EESI-MS are screened in order to extract chemical information and investigate the possibility of interference from gas-phase semivolatile species. During experiments that simulated the Thanksgiving US holiday meal preparation, EESI-MS quantified multiple species, including fatty acids, carbohydrates, siloxanes, and phthalates. Intercomparisons with Aerosol Mass Spectrometer (AMS) and Scanning Mobility Particle Sizer suggest that EESI-MS quantified a large fraction of OA. Comparisons with FIGAERO-CIMS shows similar signal levels and good correlation, with a range of 100 for the relative sensitivities. Comparisons with SV-TAG for phthalates and with SV-TAG and AMS for total siloxanes also show strong correlation. EESI-MS observations can be used with gas-phase measurements to identify co-emitted gas- and aerosol-phase species, and this is demonstrated using complementary gas-phase PTR-MS observations.     

攀西钒钛磁铁矿尾矿制备储水泡沫陶瓷的研究

以攀西钒钛磁铁尾矿和废玻璃为主要原料通过高温烧结法制备储水泡沫陶瓷，研究原料配比和发泡剂（SiC）添加量对材料性能的影响。结果表明:随着钒钛磁铁矿尾矿含量的增加，材料的体积密度及抗压强度逐渐增大，平均气孔孔径逐渐减小；当尾矿添加量为50 wt%，材料的体积吸水率出现极值。当SiC添加量为0.3 wt%，材料内部气孔分布均匀，平均孔径约为2.93 mm。最终以50.0 wt%的钒钛磁铁矿尾矿和50.0 wt%的废玻璃为原料，外加3.0 wt%的石英，0.3 wt%的SiC，3.0 wt%的Na3PO4，在1040℃下制得性能最优的储水泡沫陶瓷，材料的体积密度为0.26 g/cm-3、体积吸水率为56.5%和抗压强度为0.68 MPa。采用SEM、XRD等检测手段研究材料的微观形貌及物相组成，结果表明储水泡沫陶瓷内部由三维立体结构组成，有利于储存水分；材料主要物相包括硅灰石、长石、透辉石和钛铁矿。