2D BASIN MODELLING IN THE EASTERN VARISCAN FOLD BELT (CZECH REPUBLIC): INFLUENCE OF THRUSTING ON PATTERNS OF THERMAL MATURATION

This study evaluates the geothermal history of Palaeozoic sedimentary rocks from the easternmost part of the Variscan external zone in the NE Czech Republic. The objective was to investigate the geothermal history of pre‐Variscan Palaeozoic carbonates in the study area, and to assess its relationship with that of the overlying Variscan flysch. In the study area, the Palaeozoic succession occurs at the surface or is overlain by Miocene sediments of the Carpathian Foredeep. Palaeozoic nappes and the main Variscan overthrust have been documented in the subsurface at the deep Pot?tát‐1borehole. Vitrinite reflectance measurements on 38 samples from the Pot?tát‐1 well and 19 samples from nearby surface outcrops and shallow boreholes were available. A 2D thermal model was created using PetroMod and the thermal maturity evolution was modelled by EASY%Ro. The thermal model was constructed based on interpretations of two NW‐SE seismic profiles (lines 5/83 and 5/84) oriented perpendicular to the main Variscan thrusts. The results were calibrated using measured vitrinite reflectance and were adjusted with 1D models from three shallow boreholes. At the Pot?tát‐1 borehole, modelled maximum palaeo‐temperatures of the Variscan flysch (Moravice Formation) ranged from 310°C at a depth of 7.3 km (the top of the preserved succession) to 395°C at the base of the succession, resulting in thermal maturities of >4%R_r. Peak maturation occurred prior to the end of Variscan thrusting. Modelling suggests that the basal heat flow for these thrust units reached a maximum value of 63 mW/m² at 325 Ma. In addition, the modelling suggests that the maturity of the Palaeozoic carbonates was controlled by the thickness of the overlying Variscan flysch nappes. Maximum palaeo‐temperatures for the Palaeozoic carbonates ranged from 265°C at the top of the interval (at a depth of 7.1 km) to 290°C at the base, resulting in a maturity of 3.8 to >4%R_r which is within the dry gas window. The study suggests that basal heat flows in the original (pre‐thrust) Early Carboniferous sedimentary basin were slightly higher than those in the post‐thrust location for the Variscan flysch nappes. This should be taken into account when evaluating the petroleum system in the South Moravian oil province (SW Czech Republic) where a complete sedimentary sequence has not been preserved.     

甲烷/丙烷在氧化铁表面还原NO的红外原位研究*

利用漫反射红外傅里叶变换光谱仪(DRIFTS)对甲烷/丙烷在氧化铁表面还原NO的反应进行了原位研究,分析了不同气体在氧化铁表面的吸附特点以及在有O_2条件下甲烷/丙烷还原NO的中间产物生成特性。结果表明,氧化铁对NO有着较好的吸附能力,NO能够以不同桥式硝酸盐与硝基的形式吸附于氧化铁表面。这些吸附物种热稳定性各不相同,并且可能会被氧化铁中的晶格氧氧化产生新的吸附物种,对进一步与还原剂发生选择性催化反应有着重要的作用。甲烷与丙烷在氧化铁表面还原NO的微观反应机理通过一系列路径完成。还原剂吸附于氧化铁表面,与由NO吸附形成的含氮吸附物种相互反应,形成一系列碳氢中间产物,通过进一步反应还原NO;在氧气存在的情况下,O_2会参与碳氢还原剂与含氮吸附物种的竞争反应,并形成R—COO-、CH3COO-等更多活性中间物种,这些活性中间物种通过与NO不断的反应最终还原NO为N2。     

The control of paracetamol particle size and surface morphology through crystallisation in a spray dryer

The parameters governing the crystallisation of paracetamol using various conventional techniques has been extensively studied, however the factors influencing the drug crystallisation using spray drying is not as well understood. The aim of this work was to investigate the crystallisation of an active pharmaceutical ingredient through evaporative crystallisation using a spray dryer to study the physicochemical properties of the drug and to use semi-empirical equations to gain insight into the morphology and particle size of the dried powder. Paracetamol solutions were spray dried at various inlet temperatures ranging from 60 °C to 120 °C and also from a series of inlet feed solvent compositions ranging from 50/50% v/v ethanol/water to 100% ethanol and solid-state characterisation was done. The size and morphology of the dried materials were altered with a change in spray drying parameters, with an increase in inlet temperature leading to an increase in particle Sauter mean diameter (from 3.0 to 4.4 µm) and a decrease in the particle size with an increase in ethanol concentration in the feed (from 4.6 to 4.4 µm) as a result of changes in particle density and atomised droplet size. The morphology of the dried particles consisted of agglomerates of individual crystallites bound together into larger semi-spherical agglomerates with a higher tendency for particles having crystalline ridges to form at higher ethanol concentrations of the feed.     

衰减全反射中红外光谱测定马铃薯中可溶性蛋白含量

傅里叶变换衰减全反射红外光谱法是一种快速无损绿色的分析技术,结合化学计量学和数学建模可对混合物进行定性、定量分析。本研究利用衰减全反射中红外光谱建立测定马铃薯中可溶性蛋白含量的方法,以满足选育高蛋白质含量马铃薯的快速测定,提高快速鉴定育种品系品质的目的。采用平滑降噪和导数基线矫正的方法预处理数据,选择1 700～600 cm~(-1)波段作特征光谱,提取主成分并逐步回归建模。结果表明7点平滑后一阶导数处理数据,能较准确地测定马铃薯中可溶性蛋白的含量,对于验证集的预测,其中70. 37%预测值偏差小于20%,对于鲜重蛋白质含量在5 mg/g以上的14个样品的预测,高达92. 86%预测值偏差小于20%,说明能准确快速鉴定高蛋白品系。     

A spectroscopic method for quick evaluation of tint strength and tint tone of titania (rutile) pigment and factors affecting them

Titanium dioxide (TiO₂) manufacturing industries measure optical properties such as brightness, colour, tint strength, tint tone, gloss, scatter coefficient, and others to ensure the quality of the product. Product characterization and process control generally focus on the optical properties, which determine its quality. In this work, titania rutile pigment with varying tint strength and tint tone is analyzed and a correlation is established between particle size and the optical properties such as tint strength and tint tone. It is observed that optical properties of titania pigment depends on the particle size as well as particle size distribution. A relatively faster evaluation of tint strength and tint tone can be made using the reflectance and particle size measurements. Analytical samples were prepared by ultrasonic dispersion of pigment in water containing calgon as dispersing agent. To verify the accuracy of the method, pigment tint strength and tint tone obtained from this study are compared with those resulting from traditional analysis. The results showed that the new method is viable.     

煤与高岭石表面性质对凝聚过程的影响机制

煤泥水中含大量高岭石等黏土矿物，为其絮凝沉降带来较大的困难。为明确矿物性质对凝聚过程的影响机制，在应用扩展的DLVO理论计算煤和高岭石颗粒间作用力的基础上，采用聚焦光束反射测量仪监测了CaCl2用量为4.50 mmol/L时20 g/L的煤和高岭石的悬浮液在60, 100和150 r/min的搅拌转速下的凝聚过程。结果表明，颗粒间的静电作用力在颗粒表面间距2?200 nm范围内起主导作用，高岭石的电负性较大，在凝聚过程中更难发生靠近和碰撞；较高的转速可为颗粒提供较大的动量，有利于提高碰撞频率，缩短完成凝聚所需时间，实验条件下，煤和高岭石的凝聚时间分别由74和123 s缩短至47和89 s。疏水性作用力在颗粒表面间距小于2 nm的范围内起主导作用，决定了颗粒的黏附效率；煤因强疏水性，在碰撞后更易黏附，且能抵抗更高的流体剪切作用，可由19.32 μm凝聚形成100 μm的大凝聚体，而高岭石则因其亲水性难以得到较大粒度的凝聚体，均小于30 μm。     

基于中红外漫反射光谱技术测定精米中直链淀粉含量的研究

研究了基于傅里叶中红外漫反射光谱(DR-FTIR)技术结合偏最小二乘法(PLS)、主成分分析法(PCR)、经典最小二乘法(CLS)、逐步多元线性回归法(SMLR)快速测定精米中直链淀粉含量。实验选取了161个精米样品作为研究对象,通过光谱预处理,异常值剔除,波谱区间选择对模型进行了优化。结果表明:采用PLS建模,通过多元散射校正,向后区间偏最小二乘法预处理后,所构建的模型效果最优。此时,建模区间为3 800~3 500、3 100~3 000、2 900~2 400、2 300~1 300、1 000~900 cm~(-1),模型相关系数R为0.995 6,校正均方差为0.291,预测均方差为1.23;同时,实验另选了34种精米样品对模型进行了准确性验证。结果显示验证集样品的红外预测值与真实值高度相关,线性拟合方程为Y=0.994X+0.068,相关系数R为0.994 9,说明实验所开发的直链淀粉DR-FTIR模型是有效的,预测结果准确度好,模型稳定性高。     

Polyaniline sensitized Pt@TiO2 for visible-light-driven H2 generation

Polyaniline is a typical conducting polymer with high migration electron rate, good stability, eco-friendly properties, and high absorption coefficients for visible light. In the present study, polyaniline decorated Pt@TiO₂ for visible light-driven H₂ generation is reported for the first time. The above-mentioned nanocomposite is prepared through a simple oxidative-polymerization and characterized by infrared spectroscopy, transmission electron microscopy, X–ray diffraction, thermogravimetric analysis, and ultraviolet–visible diffuse reflectance spectra. Polyaniline modification improves the absorption of the nanocomposite in visible light region via a photosensitization effect similar to dye–sensitization but does not influence the crystal structure and size of Pt@TiO₂. The polyaniline modified Pt@TiO₂ exhibits a remarkable visible light activity (61.8 μmol h⁻¹ g⁻¹) and good stability for H₂ generation (with an average apparent quantum yield of 10.1%) with thioglycolic acid as an electron donor. This work provides new insights into using conducting polymers, including polyaniline, as a sensitizer to modify Pt@TiO₂ for visible-light hydrogen generation.     

Design of data feature-driven 1D/2D convolutional neural networks classifier for recycling black plastic wastes through laser spectroscopy

In this study, two types of convolutional neural network (CNN) classifiers are designed to handle the problem of classifying black plastic wastes. In particular, the black plastic wastes have the property of absorbing laser light coming from spectrometer. Therefore, the classification of black plastic wastes remains still a challenging problem compared to classifying other colored plastic wastes using existing spectroscopy (i.e., NIR). When it comes the classification problem of black plastic wastes, effective classification techniques by the laser spectroscopy of Fourier Transform-Infrared Radiation (FT-IR) with Attenuated Total Reflectance (ATR) and Raman to analyze the classification problem of black plastic wastes are introduced. Due to the strong ability of extracting spatial features and remarkable performance in image classification, 1D and 2D CNN through data features are designed as classifiers. The technique of chemical peak points selection is considered to reduce data redundancy. Furthermore, through the selection of data features based on the extracted 1D data with peak points is introduced. Experimental results demonstrate that 2DCNN classifier designed with the help of 2D data feature selection as well as 1DCNN classifier shows the best performance compared with other reported methods for classifying black plastic wastes.     

烟煤镜质组平均最大反射率与煤种之间的关系

运用制定《中国煤炭分类》国家标准所依据的近600个烟煤煤层煤样实测数据，分析了中国不同煤种烟煤镜质组平均最大反射率的分布范围，探讨了烟煤镜质组平均最大反射率与中国煤分类系统之间的关系.研究表明：镜质组反射率与煤种之间的关系较复杂，特别是在中低变质烟煤阶段，相同变质程度煤往往归属于不同煤种，受煤岩组成和还原程度的影响较大.但总的来说，烟煤镜质组反射率与煤种之间的关系规律性明显.