Correlation of reactivity with chemical structure: Thermal hydrogenation of gas oils

The relationship between chemical structure and reactivity for thermal hydroprocessing was studied for five gas oils derived from Alberta bitumens. Chemical structure was characterized by combining data from ¹ H and ¹³ C nuclear magnetic resonance spectroscopy, class fractionation, and elemental analysis to calculate structural parameters. Thermal hydrotreating was performed in a continuous-flow stirred reactor at 420 and 440°C, 13.9 MPa hydrogen pressure, and 1.5 h¹ LHSV. Conversion of the 343–525°C boiling fraction of the gas oils was correlated with the concentration of naphthenic methylene groups in the feed. Formation of methane and ethane was dependent on the degree of condensation of the aromatic rings in the feed oils. Thermal desulfurization was highly correlated with the amount of saturates in the feed, and the aromaticity of the resin fraction. Hydrogen consumption increased with the aromaticity of the gas oil…     

Molecular association complex of urea with polyethylene: 3. Structural studies of the complex

The crystal structure of urea-polyethylene complex in the hexagonal form, obtained by one of our preparation methods, is analysed by X-ray power diffractometry. In this analysis, the fixed molecular parameters of urea are used, and three models with respect to rotational disorder of the guest polyethylene molecule are assumed. It is shown that the host lattice structure constructed by urea molecules is essentially the same as that of urea-n-paraffin complex. Effects of the disorder structure of the guest on X-ray scattering of the complex are presented. However, there is a difficulty in identifying the disorder structure by X-ray analysis. With the aid of a potential energy calculation between the hexagonal urea tunnel and the guest molecule, a rotational disorder model is preferred.     

Characterization of microporous-mesoporous MCM-41 silicates prepared in the presence of octyltrimethylammonium bromide

MCM-41 silicates prepared in the presence of octyltrimethylammonium bromide either by a conventional method or by post-synthesis hydrothermal treatment were characterized by nitrogen adsorption in a wide range of relative pressure from 10^-6 to 1. Hydrothermally restructured samples were found to have lower BET surface areas, lower external surface areas and thicker silica walls than the non-treated sample. More importantly, in addition to their characteristic mesopores (ca. 3 nm), they were shown to have considerable amounts of micropores. The relative amount of micropores and mesopores was shown to be dependent on the treatment conditions. Thus, it is demonstrated that the postsynthesis hydrothermal restructuring is a convenient synthesis route to MCM-41 silicates with bimodal pore size distribution involving controllable amounts of microporosity. This revised version was published online in July 2006 with corrections to the Cover Date.     

Mathematical models of the thermal decomposition of coal: 3. Density,porosity and contraction behaviour

Mathematical models are proposed to predict the true density of coal, semi-coke and coke and the porosity of a coke oven charge during carbonization. These models are combined in a further model which predicts the hitherto unexplained ‘twin-peaked’ contraction curve observed for semi-coke. It is found that the first contraction peak results from the relatively high rate of mass loss occurring towards the end of the primary devolatilization stage. The second peak occurs because of the increase in true density arising from the elimination of hydrogen from the semi-coke.     

Surface and subsurface products of the interaction of O2 with Ag under catalytic conditions

Polycrystalline Ag treated with O₂ at pressures up to 1 bar and at temperatures up to 920 K was examined by TDS. It was found that the peak commonly observed at 595±25 K and assigned to adsorbed atomic oxygen (O_a) is shifted to higher desorption temperatures with rising dosing temperatures. Since saturation of the uptake was not possible either, this peak was identified as dissolved atomic oxygen (O_d). The existence of a maximum for the O₂ uptake after exposure at 820 K was found. Hence, under conditions of formaldehyde synthesis ( 920 K) the ability of the catalyst to dissolve oxygen is near its maximum.     

Comparative analysis of methods for determining the metabolic rate in order to provide a balance between man and the environment

The incorrect determination of metabolic rate can be linked to discrepancies between the model of the PMV (Predicted Mean Vote) and real thermal sensation collected in field studies. Aiming to improve the correlation of the PMV model and the real thermal sensation, this work established new values for the metabolic rate: one way being called “calculated” using Newton's Method and the other called "measured" using a metabolic analyzer. Welder's activities were evaluated, through the measurements of environmental and personal variables. New values of metabolic rate were determined for this activity. The values found for the calculated form and the measured one were, respectively, 178.63 and 145.46 W/m², different from the range provided by the table of ISO 8996 (2004) for this activity (75–125 W/m²). In order to verify which of the values of the metabolic rate was closer to the real thermal sensation of PMV, a linear regression was made between the PMV and the real thermal sensation in three ways: S × PMV_tabulated (R² = 0.1749), S × PMV_calculated (R ² = 0.7481) and S × PMV_measured (R² = 0.7854). It was found that the values measured by the instrument gave a higher coefficient of determination which was chosen for the correction of the table. The correction of the table provides a value of M_predicted, that is a value of metabolic rate that corrects the values provided by the tables of ISO 8996 (2004), by means of a correction coefficient. For the welder's activities in a metal-mechanics industry, tabulated values can be multiplied by the correction coefficient 1.4648 in order to minimize inaccuracies. The PMV_predicted, obtained through the M_predicted, when related to the actual thermal sensation, provides a coefficient of determination of 0.7511, thereby improving the model of the PMV.     

Thermal conversion (visbreaking) of heavy Iraqi residue

A heavy Iraqi residue was thermally cracked using a soaker visbreaking process at temperatures between 435 and 480 °C, with a range of residence times of 43–109 s in the coil and 151–379 s in the soaker. The pressure was kept constant at 7 bar. Visbroken products were characterized, evaluated and fractionated into light, middle and heavy cuts. The stability of the visbroken products was compared with that of the original feedstock. Also an activation energy was calculated for the visbreaking process and related to the severity of the process. The results obtained show that the conditions used were not severe and could be applied to obtain a required conversion depending on the uses of the products.     

低密度泡沫玻璃的研究与应用

低密度泡沫玻璃是利用碎玻璃制造的一种气孔率大于90%的隔热保温材料,它具有强度高、导热系数小、吸水率低、不吸湿、耐腐蚀等特性,在潮湿环境下抗冻性能好,是一种优良的低温、超低温隔热保温材料。该产品用途广泛,所用的原材料简单易得,但生产工艺过程比较复杂,生产过程控制精度要求较高,容易产生各种缺陷而影响产品的质量。本文对低密度泡沫玻璃的生产工艺过程进行详细的分析研究,提出相应的措施,确保产品的低密度和高成品率,提高产品的性能,扩大产品的使用范围。     

城市慢行交通网络数据建模研究

城市慢行交通系统是现代城市交通系统的重要组成部分,随着多模式城市交通发展,建立便捷和高效的城市慢行交通网络系统成为现代城市解决交通问题和提升交通运行效率的关键措施。基于此,文中应用统一建模语言（UML）和地理标识语言（GML）建立城市慢行交通网络数据模型,提出一种统一的和一致性的交通地理要素定义和性质描述方法,并阐述基于GML的城市慢行交通网络的地理要素和关系表达。研究成果促进了城市交通地理数据的组织、表达、集成、共享和操作,对建立高效的城市慢行交通网络系统具有重要的理论价值。