Modification of narrow‐spectrum peptidomimetic polyurethanes with fatty acid chains confers broad‐spectrum antibacterial activity

Each year, thousands of patients die from antimicrobial‐resistant bacterial infections that fail to respond to conventional antibiotic treatment. Antimicrobial polymers are a promising new method of combating antibiotic‐resistant bacterial infections. We have previously reported the synthesis of a series of narrow‐spectrum peptidomimetic antimicrobial polyurethanes that are effective against Gram‐negative bacteria, such as Escherichia coli; however, these polymers are not effective against Gram‐positive bacteria, such as Staphylococcus aureus. With the aim of understanding the correlation between chemical structure and antibacterial activity, we have subsequently developed three structural variants of these antimicrobial polyurethanes using post‐polymerization modification with decanoic acid and oleic acid. Our results show that such modifications converted the narrow‐spectrum antibacterial activity of these polymers into broad‐spectrum activity against Gram‐positive species such as S. aureus, however, also increasing their toxicity to mammalian cells. Mechanistic studies of bacterial membrane disruption illustrate the differences in antibacterial action between the various polymers. The results demonstrate the challenge of balancing antimicrobial activity and mammalian cell compatibility in the design of antimicrobial polymer compositions. © 2019 Society of Chemical Industry     

Thermodynamic performance analysis and environmental impact assessment of an integrated system for hydrogen and ammonia generation

A novel multigeneration plant that's using natural gas for power, hydrogen, ammonia, and hot water generation, is planned and analyzed, in the current paper. The suggested combined plant integrated with four sub-systems, which are the Brayton cycle, reheat Rankine cycle, the high-temperature steam electrolyzer for hydrogen production, and ammonia synthesis processes. Also, thermodynamic analysis and environmental impact assessment are conducted for the designed plant and sub-systems. Moreover, the sustainability index analysis of this proposed study is conducted. The effects of some important indicators on the performance and on the environmental impact of the modeled system and sub-processes are also studied. According to analyses results, it is noted that the energetic and exergetic efficiencies of the suggested system are 51.83% and 70.27%, respectively, and also the total CO₂ emission rate is 11.4 kg/kWh for the integrated plant. Furthermore, the total irreversibility rate is computed as 40007.68 kW, and furthermore, the combustion chamber has a maximum irreversibility rate with 20,033 kW, among the proposed plant components.     

Operation of Rh/Ce0.75Zr0.25O2-δ-ƞ-Al2O3/FeCrAl wire mesh honeycomb catalytic modules in diesel steam and autothermal reforming

The Rh/Ce_0·75Zr_0·25O_2–δ-ƞ-Al₂O₃/FeCrAl structured catalytic blocks of length 10, 20, and 60 mm were prepared and tested in the reactions of steam and autothermal reforming of n-hexadecane. It was found in a series of experiments on hexadecane steam reforming with the catalyst heating solely through the reactor wall that the complete conversion of hexadecane at a furnace temperature below 750 °C was not achieved even at GHSV = 10,000 h⁻¹. Under these conditions, the formation of carbon on the catalyst surface was observed. At the reactor wall temperature of 800 °C, the complete conversion of hexadecane was achieved even in the 10 mm long catalytic block (GHSV = 60,000 h⁻¹), accompanied by the formation of various intermediate light hydrocarbons. To achieve complete conversion of these intermediate compounds (mainly 1-alkenes), it is necessary to carry out the steam reforming reaction at GHSV = 10,000 h⁻¹. At hexadecane autothermal reforming, heat is supplied to the reaction zone by exothermic oxidation reaction, which makes this process more efficient. In experiments with the use of additional external heat supply through the reactor wall, complete conversion of hexadecane occurred at GHSV = 120,000 h⁻¹. To convert all by-products (mainly 1-alkenes) and achieve a nearly thermodynamic equilibrium distribution of the main reaction products (H₂, CO, CO₂), the reaction should be carried out at GHSV = 20,000 h⁻¹. Without external heat supply, hexadecane conversion decreased, while the content of light hydrocarbons in the reaction products increased. An increase in the inlet amount of oxygen helps to compensate the heat losses in the reactor and to increase the efficiency of hexadecane autothermal reforming. The performed experiments allow better understanding of the processes which occur during the steam and autothermal reforming of diesel.     

A machine learning‐based operational control framework for reducing energy consumption of an amine‐based gas sweetening process

This study proposes a data‐driven operational control framework using machine learning‐based predictive modeling with the aim of decreasing the energy consumption of a natural gas sweetening process. This multi‐stage framework is composed of the following steps: (a) a clustering algorithm based on Density‐Based Spatial Clustering of Applications with Noise methodology is implemented to characterize the sampling space of all possible states of the operation and to determine the operational modes of the gas sweetening unit, (b) the lowest steam consumption of each operational mode is selected as a reference for operational control of the gas sweetening process, and (c) a number of high‐accuracy regression models are developed using the Gradient Boosting Machines algorithm for predicting the controlled parameters and output variables. This framework presents an operational control strategy that provides actionable insights about the energy performance of the current operations of the unit and also suggests the potential of energy saving for gas treating plant operators. The ultimate goal is to leverage this data‐driven strategy in order to identify the achievable energy conservation opportunity in such plants. The dataset for this research study consists of 29 817 records that were sampled over the course of 3 years from a gas train in the South Pars Gas Complex. Furthermore, our offline analysis demonstrates that there is a potential of 8% energy saving, equivalent to 5 760 000 Nm³ of natural gas consumption reduction, which can be achieved by mapping the steam consumption states of the unit to the best energy performances predicted by the proposed framework.     

Experimental study on prediction model of wet gas pressure drop across single-orifice plate in horizontal pipes in the low gas phase Froude number region

The pressure drop prediction of wet gas across single-orifice plate in horizontal pipes had been solved satisfactorily under an annular-mist flow in the upstream of orifice plates. However, this pressure drop prediction is still not clearly determined when the upstream is in an intermittent flow or stratified flow, which is corresponding to a region of low Fr_G (gas phase Froude number) in the flow pattern map of wet gases. In this study, the wet gas pressure drop across a single-orifice plate was experimentally investigated in the low Fr_G region. By the experiment, the flow pattern transition in the downstream of single-orifice plates, as well as the effects of Fr_G and Fr_L (liquid phase Froude number) on Φ_G (gas phase multiplier), were determined and compared when the upstream is in the flow pattern transition and the stratified flow region, respectively. Prediction performances were examined on the available pressure drop models. It was found that no model could be capable of jointly predicting the wet gas pressure drop in the low Fr_G region with an acceptable accuracy. With a new method of correlating Fr_G and Fr_L simultaneously, new correlations were proposed for the low Fr_G region. Among which the modified Chisholm model shows the best prediction accuracies, with the prediction deviations of Φ_G being within 7% and 3% when the upstream is in flow pattern transition and stratified flow region, respectively.     

Process parameters influence on zone refining and thermodynamics analysis of 1,2-diphenylethane

Effective distribution coefficients of 9 impurities in 1,2-diphenylethane have been calculated by directional crystallization under different ambient frozen temperature. The effect of varied zone size, temperature difference between the melt and ambient frozen environment, number of zone on purity of 1,2-diphenylethane have been also investigated during the process of zone refining. The results indicate that the product purity in the intermediate purified region with varied zone size is higher 0.04%-0.2% than that with constant zone size. The product purity increases with temperature difference between the melt and ambient frozen environment. The appropriate temperature difference is adopted 50℃. The product purity in the intermediate region of sample bar with 2 molten zones is higher 0.05%-0.43% than that with 1 molten zone. In addition, the change of enthalpy and entropy between impurities and 1,2-diphenylethane have been determined.     

Characterization of anisotropic gas permeability and thermomechanical properties of highly textured porous alumina

Porous alumina with a highly textured microstructure was fabricated by pulse electric current sintering (PECS) using alumina platelets. Highly oriented porous alumina with a porosity of 3%–50% was obtained by a pressure-controlled method of PECS. The properties of the highly textured porous alumina were measured in two directions. The nitrogen gas permeance and thermal conductivity at room temperature were higher in the direction along the platelet length due to the higher continuity of pores and the connectivity of alumina platelets, respectively. The anisotropy of the thermal conductivity at room temperature was investigated and explained by the effect of grain size of platelets as well as morphology and orientation of pores. The bending strength was higher with the loading direction along the platelet thickness. The thermal shock strength was clearly different in the two directions. The difference in the thermal shock strength was investigated by the measurement of properties and thermal stress analysis.     

Grain boundary engineered,multilayer graphene incorporated LaCoO3 composites with enhanced thermoelectric properties

Enhancement of thermoelectric properties by virtue of decreased electrical resistance through grain boundary engineering is realised in this study. A robust strategy of optimisation of the transport properties by tuning the energy filtering effects at the interfaces by decreasing the interfacial electrical resistance is achieved in LaCoO₃ (LCO). This is accomplished by the incorporation of multilayer graphene within the parent LCO matrix containing multi-scale nano/micro grains. The present work has attained a substantial increment in electrical conductivity from a value of 96 Scm^-1 for bare LCO to ～5300 Scm^-1 at 750 K by incorporating 0.08 wt% multilayer graphene in LCO. No significant change in thermal conductivity is observed due to the presence of multilayer graphene in LCO. A zT of 0.33 at 550 K for 0.08 wt% multi-layer graphene incorporated LCO composite is achieved which is the highest thermoelectric figure of merit value for undoped LCO reported until now.     

波形驱动下多参数约束高分辨率反演方法——以四川盆地渝西地区龙马溪组页岩气为例

基于叠后地震波形指示反演在薄储层预测方面的优势，以及叠前弹性参数较叠后弹性参数信息更丰富、对储层的敏感性更高的特点，根据岩石物理资料，应用地震驱动+储层构型约束的高精度叠前随机反演方法，探寻定量表征优质薄页岩的技术，以期为深层页岩气地质甜点预测提供技术支撑。首先，基于道集波形相似性、AVO特征和空间距离的三变量优选方法提取结构相似的井数据作为空间估值样本，然后建立待判别道集初始模型；其次，以统计的弹性阻抗作为先验信息，应用“基于叠前道集特征指示的马尔科夫链-蒙特卡洛随机模拟算法”进行叠前地震波形指示反演，最终得到高精度的叠前弹性参数反演成果。实际应用表明，应用所提方法有效预测了龙一段一亚段1-2小层优质页岩厚度，基于特征参数的井震高频模拟精确模拟了龙一段一亚段1-2小层地质甜点参数，为页岩气勘探提供了技术支撑。     

川东南丁山地区燕山期—喜马拉雅期差异构造-热演化与页岩气保存

中国的海相富有机质页岩经历了多期构造改造，其含气性具有明显的差异。页岩气在不同构造演化阶段的保存条件是揭示页岩气差异富集机理的关键科学问题之一，开展构造-热演化研究可以明确其热演化史和构造隆升-剥蚀过程，为其评价提供演化格架。研究以丁山地区下古生界页岩为对象，联合磷灰石裂变径迹、磷灰石（U-Th）/He和锆石（U-Th）/He等多个古温标反演热演化史，结合镜质体反射率重建的最高古地温剖面，对丁山地区燕山期以来的差异构造隆升过程和剥蚀量进行了恢复，并在此基础上结合流体包裹体分析对丁山地区龙马溪组页岩的压力演化过程进行了模拟；根据页岩在埋藏—抬升过程中的温、压演化特征，定量表征了不同抬升阶段页岩含气量的变化，建立了龙马溪组页岩"埋藏—生烃—抬升"的演化格架。分析表明，丁山地区在燕山期和喜马拉雅期经历了不同的构造隆升过程。燕山期表现为"早期快速隆升—晚期缓慢隆升"的分段隆升，具有自NW向SE递进隆升且隆升幅度逐渐增大的特征；喜马拉雅期表现为整体快速隆升。燕山期是丁山地区产生差异构造隆升的主要时期。受这种差异构造隆升-剥蚀作用的影响，龙马溪组页岩的降温、降压过程和页岩气的散失过程具有明显的差异。燕山期的差异构造隆升是造成丁山地区龙马溪组页岩含气性呈平面分带的主要原因。