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Confinement effects in methanol to olefins catalysed by zeolites: A computational review

German Sastre

《化学科学与工程前沿（英文）》 2016年第10卷第1期页码 76-89 doi: 10.1007/s11705-016-1557-3

摘要： Small pore zeolites, containing 8-rings as the largest, are widely employed as catalysts in the process of methanol-to-olefins (MTO). Reactants and products diffuse with constraints through 8-rings and this is one of the reaction bottlenecks related to zeolite micropore topology. Small pore zeolites and silicon-aluminophosphates(SAPOs) containing cavities, where olefins are mainly formed through the hydrocarbon pool (HP) mechanism, are frequently tested for MTO. Shape selectivity of transition states within the side-chain methylation will be reviewed as this is one of the controlling steps of the MTO process, with particular attention to the role of hexamethylbenzene (HMB) and heptamethylbenzenium cation (HeptaMB ), which are the most tipically detected reaction intermediates, common to the paring and side-chain routes within the HP mechanism. The relative stability of these and other species will be reviewed in terms of confinement effects in different cage-based zeolites. The role of the different alkylating agents, methanol, dimethyl ether (DME), and surface methoxy species (SMS) will also be reviewed from the computational viewpoint.

关键词： small pore zeolites SAPOs methanol-to-olefins hydrocarbon pool mechanism alkylation of polymethylbenzenes

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Reduced kinetic mechanism of -heptane oxidation in modeling polycyclic aromatic hydrocarbon formation

ZHONG Beijing, XI Jun

《能源前沿（英文）》 2008年第2卷第3期页码 326-332 doi: 10.1007/s11708-008-0047-9

摘要： A reduced mechanism, which could couple with the multidimensional computational fluid dynamics code for quantitative description of a reacting flow, was developed for chemical kinetic modeling of polycyclic aromatic hydrocarbon formation in an opposed-flow diffusion flame. The complete kinetic mechanism, which comprises 572 reactions and 108 species, was reduced to a simplified mechanism that includes only 83 reactions and 56 species through sensitivity analysis. The results computed via this reduced mechanism are nearly indistinguishable from those via the detailed mechanism, which demonstrate that the model based on this reduced mechanism can properly describe -heptane oxidation chemistry and quantitatively predict polycyclic aromatic hydrocarbon (such as benzene, naphthalene, phenanthrene and pyrene) formation in opposed-flow diffusion flames.

关键词： phenanthrene multidimensional computational sensitivity analysis polycyclic mechanism

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Demand response based congestion management in a mix of pool and bilateral electricity market model

Ashwani KUMAR, Charan SEKHAR

《能源前沿（英文）》 2012年第6卷第2期页码 164-178 doi: 10.1007/s11708-012-0187-9

摘要： The independent system operator (ISO) is a key element in the deregulated structure with one of the responsibilities of transmission congestion management (CM). The ISO opts market based solutions to manage congestion receiving bids from generation companies (GENCOs) as well as distribution companies (DISCOMs) to reschedule their generation and relocate demand. The nodal prices increases during the congestion hours and the demand response to nodal prices will be an effective tool for the control of congestion. In this paper, demand response-based CM has been proposed for a mix of pool and bilateral electricity market model. The linear bid curves have been considered for demand bids to respond to the congestion in the network. The bilateral demand has been obtained with minimum deviations in their preferred schedule. The impact of flexible alternating current transmission system (FACTS) devices viz static var compensator (SVC) and thyristor controlled series compensator (TCSC) has also been considered for demand management during congestion. Multi-line congestion cases have been considered to study the impact on demand response without and with FACTS devices. The proposed approach has been tested on the IEEE 24 bus test system.

关键词： bid function congestion management (CM) demand response pool+bilateral electricity market static var compensator (SVC) thyristor controlled series compensator (TCSC)

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Haloacetic acids in swimming pool and spa water in the United States and China

Xiaomao WANG,Garcia Leal M I,Xiaolu ZHANG,Hongwei YANG,Yuefeng XIE

《环境科学与工程前沿（英文）》 2014年第8卷第6期页码 820-824 doi: 10.1007/s11783-014-0712-7

摘要： The objective of this study is to investigate the occurrence of haloacetic acids (HAAs), a group of disinfection byproducts, in swimming pool and spa water. The samples were collected from six indoor pools, six outdoor pools and three spas in Pennsylvania, the United States, and from five outdoor pools and nine indoor pools in Beijing, China. Five HAAs (HAA5), including monochloroacetic acid, dichloroacetic acid, trichloroacetic acid, monobromoacetic acid, and dibromoacetic acid were analyzed. Total chlorine, pH and total organic carbon concentration were analyzed as well. Results indicated that the levels of HAA5 in swimming pools and spas in the United States ranged from 70 to 3980 μg·L , with an arithmetic average at 1440 μg·L and a median level at 1150 μg·L . These levels are much higher than the levels reported in chlorinated drinking water and are likely due to organic matters released from swimmers’ bodies. The levels of HAA5 in swimming pools in China ranged from 13 to 332 μg·L , with an arithmetic average at 117 μg·L and a median level at 114 μg·L . The lower HAA levels in swimming pools in China were due to the lower chlorine residuals. Results from this study can help water professionals to better understand the formation and stability of HAAs in chlorinated water and assess risks associated with exposures to HAAs in swimming pools and spas.

关键词： chlorination disinfection byproduct haloacetic acid swimming pool trihalomethane

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Unlocked disinfection by-product formation potential upon exposure of swimming pool water to additional

Alvyn P. Berg, Ting-An Fang, Hao L. Tang

《环境科学与工程前沿（英文）》 2019年第13卷第1期 doi: 10.1007/s11783-019-1098-3

摘要：

• Swimming pool water was studied for DBPs upon exposure to additional stimulants.

• DBP formation could be induced by residual chlorine and extended incubation.

• Urine led to a massive formation of chloroform with additional stimulants.

• Reactions between chlorine and anthropogenic organics were slow and long-lasting.

• Urine control and air ventilation should be on the priority list for pool management.

关键词： Trihalomethanes Haloacetic acids Chloroform Residual chlorine Anthropogenic organics Swimming pool water

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中国古生代海相油气成藏特征

康玉柱

《中国工程科学》 2010年第12卷第5期页码 11-17

摘要：

1970―1978年笔者在塔里木油气地质调研中首次提出古生代有发育的烃源岩，1984年沙参2井实现了古生代海相油田的首次重大突破。1992年通过多个古生代油气田深入研究建立了古生代海相油气成藏理论。其理论内涵：叠加复合盆地成藏，多时代多层系生油，多期成藏，多时代多类型储盖组合，多成藏模式，油气主要分布在古隆起、古斜坡、断裂带和不整合面附近。

关键词：古生代海相油气田盆地隆起坳陷油气分布

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油池火中细水雾强化火焰现象的研究

陆强,李钙,廖光煊,黄鑫,朱伟

《中国工程科学》 2006年第8卷第7期页码 78-82

摘要：

细水雾与油池火相互作用之初往往会使燃烧剧烈，强化火焰。实验研究与理论分析表明，雾滴在可燃物表面蒸发是造成这种现象的主要原因。通过改变燃料种类、喷头雾特性参数等实验工况发现火焰强化程度主要决定于燃料的挥发性以及雾滴的直径、速度等参数。而在油盆中加水后燃料表面温度降低、火焰功率下降，火焰强化现象随着加水量的增加而逐渐弱化乃至消失，细水雾系统的灭火时间也明显缩短。

关键词：细水雾油池火共沸过压热释放速率

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exogenous degrader-enhanced bioremediation with low-dose persulfate oxidation for polycyclic aromatic hydrocarbon

《环境科学与工程前沿（英文）》 2023年第17卷第11期 doi: 10.1007/s11783-023-1733-x

摘要： Polycyclic aromatic hydrocarbon (PAH)-contaminated soils are usually complex and characterized by a lack of nutrition and soil salinization, resulting in difficulties in soil remediation. In this study, bioaugmentation with a PAH-degrading Bacillus PheN7 (BA) and low-dose persulfate oxidation (PS), along with natural biodegradation, were utilized to remediate alkaline PAH-contaminated soil. The soil used in the study had a pH of 9.35, and the total PAH content was 568.8 ± 31.0 mg/kg dry soil. After 42 d of remediation, the degradation efficiency of PAHs was 96.72% and 93.88% using persulfate oxidation and bioaugmentation, respectively, whereas 38.66% of PAHs were degraded in natural attenuation (NA). Bacillus was the dominant genera throughout the process of bioremediation with the relative abundance of 79.3% on day 42 in the BA system, whereas, Alcanivorax was enriched and became the dominant genera in PS systems. In the meantime, PAH degradation genes were detected with remarkably higher level in the BA system than in PS system during the remediation. In addition to the degradation of contaminants, persulfate oxidation promotes microbial bioremediation efficiency mainly by lowering the pH to neutral and increasing the active phosphorus content in the soil. Microbial species and ecological niches were less reduced in the PS system than in the BA system. Collectively, persulfate oxidation had a better impact on the soil microbiome and is more suitable for long-term soil health than bioaugmentation through PheN7 addition.

关键词： Bioaugmentation Low-dose persulfate oxidation Polycyclic aromatic hydrocarbon Remediation

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中国非常规油气的潜力和发展

胡文瑞,翟光明,李景明

《中国工程科学》 2010年第12卷第5期页码 25-29

摘要：

概述了国外和我国非常规油气资源开发利用状况，分析了我国发展非常规油气存在的困难，提出了加快发展我国非常规油气的对策与建议。

关键词：非常规油气勘探开发技术潜力对策

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中国石化非常规油气资源潜力及勘探进展

马永生,冯建辉,牟泽辉,赵培荣,包书景,王烽

《中国工程科学》 2012年第14卷第6期页码 22-30

摘要：

中国石油化工集团有限公司（简称中国石化）矿权区内拥有较为丰富的非常规油气资源，煤层气可勘探面积为10.19万km²，煤层埋深小于2 000 m的煤层气地质资源量为11.02万亿m³。页岩气可供勘探面积为17.5万km²，初步估算页岩气地质资源量为15.9万亿m³。页岩油勘探面积为11.76万km²，具有较大的资源基础及潜力。中国石化自2004年开始关注非常规油气资源，先后启动了页岩油气、煤层气等非常规油气资源的研究和勘探工作。目前在泌阳凹陷页岩油勘探泌页HF-1水平井分段压裂后获日产油23.6 m³；元坝地区多口陆相钻井测试获得高产气流，建南地区建页HF-1井日产气12 300 m³；延川南区块煤层气已探明地质储量为106.47亿m³，多口井排采获工业气流，初步形成了中国石化非常规油气资源多类型、多阶段的勘探开发格局。

关键词：中国石化非常规油气油气资源勘探

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轻烃分析录井技术在海拉尔盆地的应用

吴长金,马昌伟,张可操

《中国工程科学》 2012年第14卷第4期页码 49-57

摘要：

为适应海拉尔盆地快速勘探开发工作的需要，有效解决在快速钻井（钻井提速）条件下，岩屑录井、地化录井等依托岩屑样品发现油气显示以及评价储层所面临的技术难题，按照优选先进适用录井技术的要求，在海拉尔盆地进行了轻烃分析录井技术应用。笔者阐述了轻烃分析录井技术的原理和特点，并对该项技术的实际应用效果进行了分析，为轻烃分析录井技术的推广应用奠定了坚实基础。

关键词：海拉尔盆地轻烃分析录井技术油气发现储层评价

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Deepwater Hydrocarbon Exploration in China Seas: Yesterday, Today and Tomorrow

Zhi-gang Zhao,Hai-zhang Yang,Wu Tang,Shi-xiang Liu

《工程管理前沿（英文）》 2016年第3卷第4期页码 390-395 doi: 10.15302/J-FEM-2016059

摘要： Deepwater area has been one of the hottest areas in the global hydrocarbon exploration. However, deepwater hydrocarbon exploration in China started late and mainly concentrated in the South China Sea (SCS) with low level of researches. Although there are some achievements, there are even more challenges. For this reason, this paper reviewed the history of deepwater exploration in China Seas and summarized the current exploration situation. The future directions of deepwater hydrocarbon exploration mainly consist of five aspects: establishing key technology system of complex structure and reservoir seismic acquisition and processing in deepwater areas of SCS, clarifying the development mechanism of high quality source rock and establishing matching assessment technology, studying the formation conditions of favorable reservoir and creating reservoir identification technology, improving accumulation theory of large and medium-sized oil and gas field of deepwater, deepening the researches of petroleum geology conditions of middle and south part of SCS. Simultaneously, the concept of portfolio should be utilized in the exploration process, with economic benefits considered. These understandings will help guiding the future deepwater hydrocarbon exploration in China Seas.

关键词： deepwater hydrocarbon exploration China Seas South China Sea Pearl River Mouth Basin Qiongdongnan Basin development directions

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对化学链系统中氧载体材料发展的新认识 Review

Zhuo Cheng, Lang Qin, Jonathan A. Fan, Liang-Shih Fan

《工程（英文）》 2018年第4卷第3期页码 343-351 doi: 10.1016/j.eng.2018.05.002

摘要：

化学循环燃烧（CLC）和化学循环重整（CLR）是通过循环氧化还原反应将清洁和有效的碳氢化合物转化为动力、燃料和化学品的创新技术。金属氧化物材料在化学循环氧化还原过程中起着重要作用。在还原过程中，氧载体提供所需量的氧离子用于烃转化和产物合成。在氧化步骤中，耗尽的金属氧化物氧载体从空气中补充分子氧，同时释放热量。近年来，用于各种化学循环应用的氧载体材料已经取得了显着进步。在这些金属氧化物材料中，铁基氧载体由于其高载氧能力、成本效益和化学循环反应应用的多功能性而具有吸引力。它们的反应性也可以通过结构设计和改进来增强。本文讨论了氧载体材料开发的最新进展以及这些材料上烃转化的机制。这些进步将促进氧载体材料的开发，以实现更有效的化学循环技术应用。

关键词：化学循环氧载体烃类转化离子扩散机制

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基于内嵌物理信息深度学习模型的增材制造工艺参数及熔池尺寸预测 Article

赵明志, 韦辉亮, 茅仪铭, 张长东, 刘婷婷, 廖文和

《工程（英文）》 2023年第23卷第4期页码 181-195 doi: 10.1016/j.eng.2022.09.015

摘要：

熔池特征对激光粉末床熔融（PBF）的打印质量有显著影响，打印参数和熔池尺寸的定量预测对LPBF中复杂过程的智能控制至关重要。然而由于高度非线性，打印参数和熔池尺寸的双向预测一直极具挑战。为了解决此问题，本工作融合典型实验、机理模型和深度学习研究激光PBF过程中关键参数和熔池特性的正向和逆向预测。实验提供基础数据，机理模型显著增强数据集，多层感知器（MLP）深度学习模型则根据实验和机理模型构建的数据集预测熔池尺寸和工艺参数。结果表明可以实现熔池尺寸和工艺参数的双向预测，最高预测准确率接近99.9%，平均预测准确率超过90.0%。此外，MLP模型的预测准确率与数据集的特征密切相关，即数据集的可学习性对预测准确率有至关重要的影响。通过机理模型增强数据集后的最高预测精度为97.3%，而仅使用实验数据集时的最高预测精度只有68.3%。MLP模型的预测准确率在很大程度上取决于数据集的质量。研究结果表明使用MLP进行复杂相关性的双向预测对于激光PBF是可行的，本工作为选定智能增材制造的工艺条件和结果提供了一个新颖而实用的框架。

关键词：增材制造熔池模型深度学习可学习性

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An approach to locational marginal price based zonal congestion management in deregulated electricity market

Md SARWAR,Anwar Shahzad SIDDIQUI

《能源前沿（英文）》 2016年第10卷第2期页码 240-248 doi: 10.1007/s11708-016-0404-z

摘要： Congestion of transmission line is a vital issue and its management pose a technical challenge in power system deregulation. Congestion occurs in deregulated electricity market when transmission capacity is not sufficient to simultaneously accommodate all constraints of power transmission through a line. Therefore, to manage congestion, a locational marginal price (LMP) based zonal congestion management approach in a deregulated electricity market has been proposed in this paper. As LMP is an economic indicator and its difference between two buses across a transmission line provides the measure of the degree of congestion, therefore, it is efficiently and reliably used in deregulated electricity market for congestion management. This paper utilizes the difference of LMP across a transmission line to categorize various congestion zones in the system. After the identification of congestion zones, distributed generation is optimally placed in most congestion sensitive zones using LMP difference in order to manage congestion. The performance of the proposed methodology has been tested on the IEEE 14-bus system and IEEE 57-bus system.

关键词： locational marginal price (LMP) distributed generation pool market deregulated electricity market congestion management