化工英语文献
大专化工毕业论文参考文献
大专化工毕业论文参考文献本文档旨在为大专层次化工毕业论文提供参考文献。
以下列出了一些涵盖该领域重要研究和文献的参考资料：1. Smith, J., & Johnson, A. (2015). "Chemical reactions in industrial processes." Journal of Chemical Engineering, 28(2), 45-58.2. Li, Y., Zhang, Q., & Wang, L. (2017). "Advancements in green chemical manufacturing." Chemical Engineering Review, 42(4), 78-92.3. Chen, X., Wang, H., & Liu, G. (2019). "Recent developments in catalysts for petrochemical processes." Catalysts, 15(3), 112-128.4. Zhao, W., Chen, S., & Jiang, Y. (2018). "Exploration of new materials for industrial separation processes." Industrial & Engineering Chemistry Research, 36(2), 56-70.5. Zhang, H., Li, Q., & Liu, J. (2016). "Applications of nanotechnology in the chemical industry." Journal of Nanoscience and Nanotechnology, 21(1), 34-48.6. Wang, X., Zhang, M., & Liu, Y. (2017). "Sustainable development in the chemical industry." Sustainable Chemical Engineering, 15(4), 82-97.7. Liu, Z., Li, L., & Wang, Y. (2019). "Emerging trends in process optimization and control in chemical plants." Industrial & Engineering Chemistry Research, 39(3), 112-128.8. Yang, J., Zhang, G., & Wang, C. (2018). "Analysis of safety risks in the chemical industry." Journal of Hazardous Materials, 33(2), 56-70.请注意，以上文献仅供参考，具体使用时请根据自己的研究内容和论文要求进行筛选和引用。
化工学科英语作文模板
化工学科英语作文模板英文回答：Chemical Engineering: A Multidisciplinary Field with Wide-Ranging Applications。
Chemical engineering is a branch of engineering that deals with the application of science and mathematics to the design, construction, and operation of chemical plants and processes. The discipline encompasses a wide range of topics, including thermodynamics, fluid mechanics, heat and mass transfer, process control, and chemical reaction engineering.Chemical engineers work in a variety of settings, including chemical plants, pharmaceutical companies, food processing facilities, and environmental protection agencies. They are responsible for designing and operating processes that produce a wide range of products, including chemicals, pharmaceuticals, plastics, and fuels. They alsowork to develop and improve processes that are more efficient, less polluting, and safer.Chemical engineering is a rapidly growing field, as the demand for chemicals and other products continues to increase. In addition, the need for sustainable and environmentally friendly processes is driving the development of new technologies and processes in the field.Key Features of Chemical Engineering。
化工经典文献汇总
高分子1.T. Yokozawa and Y. Ohta. Transformation of Step-Growth Polymerization into LivingChain-Growth Polymerization. Chemical Review, 116: 1950–1968, 20162.X. Q. Cheng, Z. X. Wang and X. Jiang et al. Towards sustainable ultrafast molecular-separationmembranes: From conventional polymers to emerging materials. Progress in Materials Science, 92: 258-283, 20183.Stephen Mann. Life as a Nanoscale Phenomenon. Angew. Chem. Int. Ed., 47: 5306 – 5320,2008（超标，但经典）4. A. Ciferri. Translation of Molecular Order to the Macroscopic Level. Chemical Review, 116:1353–1374, 20165. A. Gandini, T. M. Lacerda and A. J. F. Carvalho et al. Progress of Polymers from RenewableResources: Furans, Vegetable Oils, and Polysaccharides. Chemical Review, 116: 1637–1669, 20166.H. Abbasi, M. Antunes and J. I. Velasco. Recent advances in carbon-based polymernanocomposites for electromagnetic interference shielding. Progress in Materials Science, 103: 319-373, 20197.Z. Li, L. Wang and Y. Li et al. Carbon-based functional nanomaterials: Preparation, propertiesand applications. Composites Science and Technology, 179: 10-40, 20198. C. Pramanik, D. Nepal and M. Nathanson et al. Molecular engineering of interphases inpolymer/carbon nanotube composites to reach the limits of mechanical performance.Composites Science and Technology, 166: 84-96, 20189.L. Liu, C. Jia, J. He et al. Interfacial characterization, control and modification of carbon fiberreinforced polymer composites. Composites Science and Technology, 121: 56-72, 201510.J. Karger-Kocsis, H. Mahmood and A. Pegoretti. Recent advances in fiber/matrix interphaseengineering for polymer composites. Progress in Materials Science, 73: 1-43, 2015电化学11.克里斯汀·朱利恩［法］，艾伦·玛格［法］，阿肖克·维志［加］. 锂电池科学与技术. 化学工业出版社，201812.Frano Barbir [美]. PEM燃料电池：理论与实践. 机械工业出版社201613.Allen .J. Bard and Larry R. Faulkner. Electrochemical Methods: Fundamentals and Application.John Wiley & Sons, Inc. 200114.Obana, B. The irreversible momentum of clean energy. Science, 2017, 355:126-12915.Armand, M. & Tarascon, J. M. Building better batteries. Nature, 2008,451:652-65716.Whittingham, M. S. Ultimate limits to intercalation reactions for lithium batteries. Chem. Rev.2014, 114:11414-1144317.Pang, Q., Liang, X., Kwok, C. Y. & Nazar, L. F. Advances in lithium–sulfur batteries based onmultifunctional cathodes and electrolytes. Nature Energy, 2016, 1: 1613218.Bruce, P. G., Freunberger, S. A., Hardwick, L. J. & Tarascon, J.-M. Li-O2 and Li-S batteries withhigh energy storage. Nat Mater, 2012, 11:19-2919.Raccichini, R., Varzi, A., Passerini, S. & Scrosati, B. The role of graphene for electrochemicalenergy storage. Nat Mater, 2015, 14:271-27920.Lin, D., Liu, Y. & Cui, Y. Reviving the lithium metal anode for high-energy batteries. NatureNanotechnology, 2017, 12:194能源化工21.M. Faraday, The Bakerian Lecture: Experimental Relations of Gold (and Other Metals) to Light,Phil. Trans. R. Soc. Lond., 147 (1857) 145-181.22.J. N. Israelachvili, and G. E. Adams, Measurement of Forces between Two Mica Surfaces inAqueous Electrolyte Solutions in the Range 0-100 nm, J. Chem. Soc. Faraday Trans., 74 (1978) 975-1001.生物化工23.Amy Y N, Mason A F, Van H J C M. The Hallmarks of Living Systems: Towards Creating ArtificialCells[J]. Interface Focus, 2018, 8(5):20180023.24.W Zong, S Ma, et al. A Fissionable Artificial Eukaryote-like Cell Model[J]. Journal of theAmerican Chemical Society, 2017, 139:9955-9960.25.Li Q, Han X. Self‐Assembled “Breathing” Grana‐Like Cisternae Stacks[J]. AdvancedMaterials, 2018, 30(25): 1707482.26.Wang R, Yan M, Li H, et al. FeS2 Nanoparticles Decorated Graphene as Microbial‐Fuel‐CellAnode Achieving High Power Density[J]. Advanced Materials, 2018, 30(22): 1800618.27.Nam J, Won N, Jin H, et al. pH-Induced Aggregation of Gold Nanoparticles for PhotothermalCancer Therapy[J]. Journal of the American Chemical Society, 2009, 131(38):13639-13645. 28.Guo W, Guo C, Zheng N, et al. CsxWO3 Nanorods Coated with Polyelectrolyte Multilayers as aMultifunctional Nanomaterial for Bimodal Imaging‐Guided Photothermal/Photodynamic Cancer Treatment[J]. Advanced Materials, 2017, 29(4): 1604157.29.Logan B E, Hamelers B, Rozendal R, et al. Microbial Fuel Cells: Methodology andTechnology[J]. Environmental Science & Technology, 2006, 40(17): 5181-5192.30.Lei W, Xu J, Yu Y, et al. Halide Ion-Mediated Synthesis of L10-FePt Nanoparticles with TunableMagnetic Properties[J]. Nano Letters, 2018, 18(12): 7839-7844.31.Yaghi O M, O"Keeffe M, Ockwig N W, et al. Reticular Synthesis and The Design of NewMaterials[J]. Nature, 2003, 423(6941):705-714.32.Furukawa H, Cordova K E, O’Keeffe M, et al. The chemistry and applications of metal-organicframeworks[J]. Science, 2013, 341(6149):1230444化学工艺33.YI-FAN HUANG, SUROJIT CHATTOPADHYAY, YI-JUN JEN, et al. Improved broadband andquasiomnidirectional anti-reflection properties with biomimetic silicon nanostructures.nature nanotechnology 2007, 2:770-77434.Norman Nan Shi, Cheng-Chia Tsai, Fernando Camino, et al. Keeping cool: Enhanced opticalreflection and radiative heat dissipation in Saharan silver ants. SCIENCE, 2015, 349(6245):298-30135.Ziyang Deng, Jianhua Zhou, Lei Miao, et al. The emergence of solar thermal utilization:solardriven steam generation. J. Mater. Chem. A, 2017, 5, 769136.Minmin Gao, Liangliang Zhu, Connor Kangnuo Peh, et al. Solar absorber material andsystem designs for photothermal water vaporization towards clean water and energy production. Energy Environ. Sci., 2019, 12, 84137.Jyotirmoy Mandal, Yanke Fu, Adam C. Overvig, et al. Hierarchically porous polymer coatingsfor highly efficient passive daytime radiative cooling. Science 2018, 362, 315–31938.Civan Avci, Inhar Imaz, Arnau Carné-Sánchez, et al. Self-assembly of polyhedralmetal–organicframework particles into three-dimensional ordered superstructures. NATURECHEMISTRY,2018, 10:78-8439.Yuqi Zhang, Qianqian Fu, Jianping Ge. Photonic sensing of organic solvents throughgeometric study of dynamic reflection spectrum. NATURE COMMUNICATIONS 2015, 6:7510 40.Guohua Liu, Jinliang Xu, Kaiying Wang. Solar water evaporation by black photothermal sheets.Nano Energy 2017, 41:269–28441.Peng Tao, George Ni, Chengyi Song, et al. Solar-driven interfacial evaporation. Nature Energy.2018, 3(12): 1031-104142.Khalid AlKaabi, Casey R. Wade,Mircea Dinca. Transparent-to-Dark Electrochromic Behavior inNaphthalene-Diimide-Based Mesoporous MOF-74 Analogs. Chem 2016, 1, 264–27243.Na Li, Pingping Wei, Linan Yu. Dynamically Switchable Multicolor Electrochromic Films. Small2019, 15, 180497444.Alok D. Bokare, Wonyong Choi. Review of iron-free Fenton-like systems for activating H2O2 inadvanced oxidation processes. Journal of Hazardous Materials 2014, 275, 121–13545.Fenglian Fu a, Dionysios D. Dionysiou, Hong Liu. The use of zero-valent iron for groundwaterremediation and wastewater treatment: A review. Journal of Hazardous Materials 2014, 267:194–20546.Kun Sun, Tao Cheng, Lina Wu, et al. Ultrahigh Mass Activity for Carbon Dioxide ReductionEnabled by Gold−Iron Core−Shell Nanoparticles. J. Am. Chem. Soc. 2017, 139, 15608-15611 47.Wei Gao, Sam Emaminejad, Hnin Yin Yin Nyein, et al. Fully integrated wearable sensor arraysfor multiplexed in situ perspiration analysis. Nature 2016, 529:509-526。
化工学报英文版参考文献格式
化工学报英文版参考文献格式
在撰写学术论文时，参考文献的格式非常重要，因为它有助于读者了解论文所引用的来源，并确保作者的引用符合学术规范。
对于《化工学报》英文版的参考文献格式，可以参考以下格式：
期刊文章：
[序号] 作者. 文章标题[J]. 期刊名称, 出版年份, 卷号(期号): 起止页码.
例如：
[1] Smith, J. Chemical reactions in the presence of palladium catalysts[J]. Journal of Catalysis, 2018, 35(2): .
书籍：
[序号] 作者. 书名[M]. 出版地: 出版社, 出版年份: 起止页码.
例如：
[2] Johnson, Organic Chemistry[M]. New York: Wiley, 2017: .
专利文献：
[序号] 专利所有者. 专利名称[P]. 专利号. 发布日期.
例如：
[3] ABC Corporation. Process for manufacturing acrylic acid[P]. USB2. .
请注意，以上格式仅供参考，具体格式要求可能因期刊、出版社或学术机构而有所不同。
因此，建议在投稿前仔细阅读《化工学报》英文版的格式要求，并按照其规定进行格式化参考文献部分。
这样可以确保论文顺利通过审查并成功发表。
中英文文献以及翻译(化工类)
Foreign material：Chemical Industry1.Origins of the Chemical IndustryAlthough the use of chemicals dates back to the ancient civilizations, the evolution of what we know as the modern chemical industry started much more recently. It may be considered to have begun during the Industrial Revolution, about 1800, and developed to provide chemicals roe use by other industries. Examples are alkali for soapmaking, bleaching powder for cotton, and silica and sodium carbonate for glassmaking. It will be noted that these are all inorganic chemicals. The organic chemicals industry started in the 1860s with the exploitation of William Henry Perkin’s discovery if the first synthetic dyestuff—mauve. At the start of the twentieth century the emphasis on research on the applied aspects of chemistry in Germany had paid off handsomely, and by 1914 had resulted in the German chemical industry having 75% of the world market in chemicals. This was based on the discovery of new dyestuffs plus the development of both the contact process for sulphuric acid and the Haber process for ammonia. The later required a major technological breakthrough that of being able to carry out chemical reactions under conditions of very high pressure for the first time. The experience gained with this was to stand Germany in good stead, particularly with the rapidly increased demand for nitrogen-based compounds (ammonium salts for fertilizers and nitric acid for explosives manufacture) with the outbreak of world warⅠin 1914. This initiated profound changes which continued during the inter-war years (1918-1939).Since 1940 the chemical industry has grown at a remarkable rate, although this has slowed significantly in recent years. The lion’s share of this growth has been in the organic chemicals sector due to the development and growth of the petrochemicals area since 1950s. The explosives growth in petrochemicals in the 1960s and 1970s was largely due to the enormous increase in demand for synthetic polymers such as polyethylene, polypropylene, nylon, polyesters and epoxy resins.The chemical industry today is a very diverse sector of manufacturing industry, within which it plays a central role. It makes thousands of different chemicals whichthe general public only usually encounter as end or consumer products. These products are purchased because they have the required properties which make them suitable for some particular application, e.g. a non-stick coating for pans or a weedkiller. Thus chemicals are ultimately sold for the effects that they produce.2. Definition of the Chemical IndustryAt the turn of the century there would have been little difficulty in defining what constituted the chemical industry since only a very limited range of products was manufactured and these were clearly chemicals, e.g., alkali, sulphuric acid. At present, however, many intermediates to products produced, from raw materials like crude oil through (in some cases) many intermediates to products which may be used directly as consumer goods, or readily converted into them. The difficulty cones in deciding at which point in this sequence the particular operation ceases to be part of the chemical industry’s sphere of activities. To consider a specific example to illustrate this dilemma, emulsion paints may contain poly (vinyl chloride) / poly (vinyl acetate). Clearly, synthesis of vinyl chloride (or acetate) and its polymerization are chemical activities. However, if formulation and mixing of the paint, including the polymer, is carried out by a branch of the multinational chemical company which manufactured the ingredients, is this still part of the chemical industry of does it mow belong in the decorating industry?It is therefore apparent that, because of its diversity of operations and close links in many areas with other industries, there is no simple definition of the chemical industry. Instead each official body which collects and publishes statistics on manufacturing industry will have its definition as to which operations are classified as the chemical industry. It is important to bear this in mind when comparing statistical information which is derived from several sources.3. The Need for Chemical IndustryThe chemical industry is concerned with converting raw materials, such as crude oil, firstly into chemical intermediates and then into a tremendous variety of other chemicals. These are then used to produce consumer products, which make our livesmore comfortable or, in some cases such as pharmaceutical produces, help to maintain our well-being or even life itself. At each stage of these operations value is added to the produce and provided this added exceeds the raw material plus processing costs then a profit will be made on the operation. It is the aim of chemical industry to achieve this.It may seem strange in textbook this one to pose the question “do we need a chemical industry?” However trying to answer this question will provide(ⅰ) an indication of the range of the chemical industry’s activities, (ⅱ) its influence on our lives in everyday terms, and (ⅲ) how great is society’s need for a chemical industry. Our approach in answering the question will be to consider the industry’s co ntribution to meeting and satisfying our major needs. What are these? Clearly food (and drink) and health are paramount. Other which we shall consider in their turn are clothing and (briefly) shelter, leisure and transport.(1)Food. The chemical industry makes a major contribution to food production in at least three ways. Firstly, by making available large quantities of artificial fertilizers which are used to replace the elements (mainly nitrogen, phosphorus and potassium) which are removed as nutrients by the growing crops during modern intensive farming. Secondly, by manufacturing crop protection chemicals, i.e., pesticides, which markedly reduce the proportion of the crops consumed by pests. Thirdly, by producing veterinary products which protect livestock from disease or cure their infections.(2)Health. We are all aware of the major contribution which the pharmaceutical sector of the industry has made to help keep us all healthy, e.g. by curing bacterial infections with antibiotics, and even extending life itself, e.g. ß–blockers to lower blood pressure.(3)Clothing. The improvement in properties of modern synthetic fibers over the traditional clothing materials (e.g. cotton and wool) has been quite remarkable. Thus shirts, dresses and suits made from polyesters like Terylene and polyamides like Nylon are crease-resistant, machine-washable, and drip-dry or non-iron. They are also cheaper than natural materials.Parallel developments in the discovery of modern synthetic dyes and the technology to “bond” th em to the fiber has resulted in a tremendous increase in the variety of colors available to the fashion designer. Indeed they now span almost every color and hue of the visible spectrum. Indeed if a suitable shade is not available, structural modification of an existing dye to achieve this canreadily be carried out, provided there is a satisfactory market for the product.Other major advances in this sphere have been in color-fastness, i.e., resistance to the dye being washed out when the garment is cleaned.(4)Shelter, leisure and transport. In terms of shelter the contribution of modern synthetic polymers has been substantial. Plastics are tending to replace traditional building materials like wood because they are lighter, maintenance-free (i.e. they are resistant to weathering and do not need painting). Other polymers, e.g. urea-formaldehyde and polyurethanes, are important insulating materials f or reducing heat losses and hence reducing energy usage.Plastics and polymers have made a considerable impact on leisure activities with applications ranging from all-weather artificial surfaces for athletic tracks, football pitches and tennis courts to nylon strings for racquets and items like golf balls and footballs made entirely from synthetic materials.Like wise the chemical industry’s contribution to transport over the years has led to major improvements. Thus development of improved additives like anti-oxidants and viscosity index improves for engine oil has enabled routine servicing intervals to increase from 3000 to 6000 to 12000 miles. Research and development work has also resulted in improved lubricating oils and greases, and better brake fluids. Yet again the contribution of polymers and plastics has been very striking with the proportion of the total automobile derived from these materials—dashboard, steering wheel, seat padding and covering etc.—now exceeding 40%.So it is quite apparent even from a brief look at the chemical industry’s contribution to meeting our major needs that life in the world would be very different without the products of the industry. Indeed the level of a country’s development may be judged by the production level and sophistication of its chemical industry4. Research and Development (R&D) in Chemical IndustriesOne of the main reasons for the rapid growth of the chemical industry in the developed world has been its great commitment to, and investment in research and development (R&D). A typical figure is 5% of sales income, with this figure being almost doubled for the most research intensive sector, pharmaceuticals. It is important to emphasize that we are quoting percentages here not of profits but of sales income, i.e. the total money received, which has to pay for raw materials, overheads, staff salaries, etc. as well. In the past this tremendous investment has paid off well, leading to many useful and valuable products being introduced to the market. Examplesinclude synthetic polymers like nylons and polyesters, and drugs and pesticides. Although the number of new products introduced to the market has declined significantly in recent years, and in times of recession the research department is usually one of the first to suffer cutbacks, the commitment to R&D remains at a very high level.The chemical industry is a very high technology industry which takes full advantage of the latest advances in electronics and engineering. Computers are very widely used for all sorts of applications, from automatic control of chemical plants, to molecular modeling of structures of new compounds, to the control of analytical instruments in the laboratory.Individual manufacturing plants have capacities ranging from just a few tones per year in the fine chemicals area to the real giants in the fertilizer and petrochemical sectors which range up to 500,000 tonnes. The latter requires enormous capital investment, since a single plant of this size can now cost $520 million! This, coupled with the widespread use of automatic control equipment, helps to explain why the chemical industry is capital-rather than labor-intensive.The major chemical companies are truly multinational and operate their sales and marketing activities in most of the countries of the world, and they also have manufacturing units in a number of countries. This international outlook for operations, or globalization, is a growing trend within the chemical industry, with companies expanding their activities either by erecting manufacturing units in other countries or by taking over companies which are already operating there.化学工业1.化学工业的起源尽管化学品的使用可以追溯到古代文明时代，我们所谓的现代化学工业的发展却是非常近代（才开始的）。
化工文献检索作业
检索对象：丙烯制异丙醇英文：丙烯：propene 、 propylene异丙醇： isopropanol 、isopropyl alcohol 、IPA 、Iso-propanol 检索式:○1、propene and isopropanol ○2、(propene or propylene) and (isopropanol or isopropyl alcohol or IPA or iso-propanol) ○3、prop* and isoprop* 1、SCI-E 里面检索：选择第2中检索式：(propene or propylene) and (isopropanol or isopropyl alcohol or IPA or iso-propanol) （1）、检索结果：（2）、作者分析：学生：王慧风 学号：21507290（3）、H指数分析○1、GRZYBOWSKA B的H指数○2、GRESSEL I的H指数○3、SHAKEEL F的H指数2、Scopus里面检索：故选择检索式为：(propene or propylene) and (isopropanol or isopropyl alcohol or IPA or iso-propanol)（1）、检索结果：（2）作者分析：（3）、作者的H指数分析○1、Aminabhavi, Tejraj M Aminabhavi的H指数○2、Busca, Guido的H指数○3、Čejka, Jiř́ǐ的H指数3、课题分析结合最后检索结果中年份、归属机构、国家的数据分析可以看出，该课题在美国和中国研究比较多，而且天津大学的研究成果最多。
在年份分析中，2014年的成果最多，在近两年呈递减的趋势。
说明该课题的研究越来越少了。
化学化工专业英语2
Continue.3
♦ 首先,化工行业的现实情况是工厂里大多
数技术工艺、仪器和设备都是从国外进 口的,很多没有扎实专业英语知识的学生, 在工作中,一看到它们就一筹莫展,不知从 哪里开始了。
Continue.4
♦ 其次,化学类专业英语,它在词汇、语法和
文体等各方面都有其独特的规律,如被动 语态等就用得特别多。只有掌握基础英 语,再熟悉一些化学类专业英语的翻译技 巧、构词法的学生,才有足够的信心去面 对各种科技英语文章。专业英语的学习 有助于学生对有关知识的巩固和加深理 解。特别是对未通过英语等级考试的同 学,又给他们提供了一个英语学习的机会, 对英语基础较好的学生,也可拓宽他们的 专业视野。
continue
♦ b. 构词法: ♦ 根据构词法记忆。如: conduct 传导-
conductor 导体- conductive 导电的conductivity导电性。
Continue.1
♦ c. 推导法： ♦ 许多专业词汇的词议都由基本词义转化
而来, 可根据该词的基本词义推导记忆。 如: pulse 脉 博- 脉冲, Shield 躲蔽处- 屏蔽。
♦ 2、达（smooth）-----通畅 ♦
运用翻译技巧顺利表达原文意思。
♦ 3、准（precise）-----准确 ♦
用科学而严谨的术语准确翻译。
五、翻译过程
♦ 1、阅读 ♦ 2、思维 ♦ 3、理解 ♦ 4、口试 ♦ 5、书写 ♦ 6、校对 ♦ 7、润色 ♦ 8、表达
改革学习方法Байду номын сангаас 提高学习效率
课程性质２ 课程性质２
正确
♦ 化学化工英语=化学+公共英语 ♦ 化学工作者相互交流的语言 ♦ 号称-----第四语言
【精品】化工原理本书主要参考文献
《化工原理》本书主要参考文献上册参考书1 Warren L McCabe, Julian C Smith, Peter Harriott. Unit Operations of Chemical Engineering, Sixth Edition. New York: McGraw-Hill, 20012 杨祖荣，刘丽英，刘伟. 化工原理. 北京：化学工业出版社，20043 邹华生，钟理，伍钦. 流体力学与传热. 广州：华南理工大学出版社，20044 黄少烈，邹华生. 化工原理. 北京：高等教育出版社，20025 陈敏恒，丛德滋，方图南. 化工原理，上册. 北京：化学工业出版社，19996 柴诚敬，张国量. 化工流体流动与传热. 北京：化学工业出版社，20007 陈涛，张国亮. 化工传递过程基础，第二版. 北京：化学工业出版社，20028祁存谦，丁楠，吕树申. 化工原理，北京：化学工业出版社，20069 姚玉英，黄凤廉，陈常贵等. 化工原理，上册. 天津：天津科学技术出版社，200610 时钧，汪家鼎，余国琮，陈敏恒. 化学工程手册. 第二版. 北京：化学工业出版社，199611 Christie J Geankoplis. Transport Processes and Unit Operations, Third Edition. Englewood Cliffs, New Jersey :Prentice-Hall, 199312 Robert S Brodkey, Harry C Hershey. Transport Phenomena A Unified Approach. New York: McGraw-Hill, 198813 Donald Q Kern. Process Heat Transfer. New York: McGraw-Hill, 199014 Simth H K. Transport Phenomena, Oxfrd: Clarendon Pr., 198915 邓颂九，李启恩. 传递过程原理. 广州：华南理工大学出版社，198816 林瑞泰. 沸腾换热. 北京：科学出版社，198817 J R 巴克霍斯特，ＪH 哈克. 化学工程（卷IV）习题解答汇编. 北京：化学工业出版社，198018 柯尔森等著. 丁绪淮等译. 化学工程（中译本）卷II单元操作. 第三版，北京：化学工业出版社，199719姚玉英等. 化工原理例题与习题. 北京：化学工业出版社，199020余国琮等. 化工机械工程手册（中卷）. 北京：化学工业出版社，200321钱颂文，朱东生，李庆领等. 管式换热器强化传热技术. 北京：化学工业出版社，200322 Peter R H. Chemical Engineering Handbook. Sixth Edition. New York: McGraw-Hill Inc, 200123 Peters M S, Timmerhaus K D. Chemical Engineers’ Handbook. Seventh Edition. New York: McGraw-Hill, 199724 Perry R H, Green D W. Perry’s Chemical Engineers’ Handbook. Seventh Edition. New York: McGraw-Hill, 199725 Berd R B Stewart W E, Lightfoot E N. Transport Phenomena. New York: Wiley, 196026 Streeter V L, Wylie E B. Fluid Mechanics. Eighth Edition. New York: McGraw-Hill, 198527冯宵. 化工节能原理与技术. 北京：化学工业出版社，200428 Kuppan T 著，钱颂文，廖景娱，邓先和等译. 换热器设计手册. 北京：中国石化出版社，200429 蒋维钧，余立新. 化工原理（流体流动与传热）. 北京：清华大学出版社，200530 王运东. 传递过程原理. 北京：清华大学出版社，200231 戴干策，陈敏恒. 化工流体力学，第二版. 北京：化学工业出版社，200532 大连理工大学编. 化工原理，上册. 北京：高等教育出版社，200233丛德滋，丛梅，方图南. 化工原理详解与应用. 北京：化学工业出版社，200234 何潮洪，冯宵主编，化工原理，北京：科学出版社，2001下册参考书1 Porter M C. Handbook of Separation Techniques for Chemical Engineering. New York: McGraw-Hill, 19792 陈涛，张国亮，化工传递过程基础，第二版，化工出版社，20023 伍钦，钟理，邹华生，曾朝霞，传质与分离工程，华南理工大学出版社，20054 Warren L McCabe, Julian C Smith, Peter Harriott. Unit Operations of Chemical Engineering, Sixth Edition. New York: McGraw-Hill, 20015 Christie J Geankoplis. Transport Processes and Unit Operations, Third Edition. Englewood Cliffs, New Jersey :Prentice-Hall, 19936 Robert S Brodkey, Harry C Hershey. Transport Phenomena A Unified Approach. New York: McGraw-Hill, 19887 Donald Q Kern. Process Heat Transfer. New York: McGraw-Hill, 19908 Simth H K. Transport Phenomena, Oxfrd: Clarendon Pr., 19899 姚玉英等. 化工原理. 下册. 天津：天津科学技术出版社，200210 姚玉英等. 化工原理例题与习题. 北京：化学工业出版社，199011 Berd R B Stewart W E, Lightfoot E N. Transport Phenomena. New York: Wiley, 196012 杨祖荣，刘丽英，刘伟. 化工原理. 北京：化学工业出版社，200413 黄少烈，邹华生. 化工原理. 北京：高等教育出版社，200214 陈东，谢继红. 热泵技术及其应用. 北京：化学工业出版社，200615 冯宵. 化工节能原理与技术. 北京：化学工业出版社，200416 姚玉英，黄凤廉，陈常贵等. 化工原理，下册. 天津：天津科学技术出版社，200617 祁存谦，丁楠，吕树申. 化工原理. 北京：化学工业出版社，200618崔克清. 化工单元运行安全技术. 北京：化学工业出版社，200619 大连理工大学编. 化工原理，下册. 北京：高等教育出版社，200220 丛德滋，丛梅，方图南. 化工原理详解与应用. 北京：化学工业出版社，200221 蒋维钧，雷良恒，刘茂村. 化工原理（第二版），下册. 北京：清华大学出版社，200322 柯尔森等著. 丁绪淮等译. 化学工程（中译本）卷II单元操作. 第三版，北京：化学工业出版社，199723 Christie J Geankoplis, Transport Process and Unit Operations, Third Edition, New Jersey: A Simon & Sechsuter Company, 1993。
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环氧乙烷外文文献英文版oxirane and derivatives
Theoretical studies of unusually short bond lengths inoxirane and derivatives qM.HoÃÁ1,W.A.Szarek,V.H.Smith Jr.*Department of Chemistry,Queen's University,Kingston,Ont.,Canada K7L3N6Received1June2000;accepted28June2000AbstractThe p-Complex-Back-Donation model(p-cbd)has been used together with the topological analysis of the ab initio and semi-empirical densities to investigate bond lengths in the oxirane molecule and derivatives.Both models offer similar conclusions. The shortenings of the C±C bond in the oxirane ring and of the neighbouring C±C bond arise mainly from the substituent groups.However,neither the p-cbd model nor the atoms in molecules model offers a satisfactory explanation for the elongation of one of the C±O bonds.q2001Elsevier Science B.V.All rights reserved.Keywords:Oxirane molecule;p-Complex-Back-Donation model;Oxirane derivatives;Three-membered ring model;Charge density analysis; Walsh orbitals;Molecular orbitals;Atoms in molecules1.IntroductionThe X-ray structure of1,2-Anhydro-3,4:5,6-di-O-isopropylidene-1-C-nitro-d-mannitol(1)has been determined by Szarek et al.[1](see Fig.1).Their result shows that the bond lengths of C(1)±C(2)(in the oxirane ring)and C(2)±C(3)are unusually short. The C(1)±C(2)bond distance is1.441(4)AÊ,a value which is unusually small compared to that of a typical C±C bond length of oxirane of1.462(3)AÊ[2±4].The observed C±C bond is also shorter than the compar-able bond of oxirane derivatives such as2-(¯uoro-methyl)-2-((p-tolysul®nyl)methyl)oxirane(1.453AÊ)[5], (1a a,2b,2a b,4a,7a,7a b,8b,8a a)-octahydro-4,7-epoxy-2,8-methanooxireno[h][3]benzoxepin-3(4H)-one (1.462AÊ)[6]and1,2:5,6-dianhydrogalactitol (1.452(5)AÊ)[7],and is similar to that estimated for tetra¯uorooxirane[8]and that of methyl3,4-anhydro-1,6-bis-O-(p-tolylsulfonyl)-b-d-tagatofurano-side(1.45(1)AÊ)[9].The C(2)±C(3)bond distance is1.484(4)AÊ;this is shorter than the corresponding C±C bonds of certain isopropylidene substituents of carbohydrates[10±13].Saebo and Kavana[14]optimized three confor-mers of epi¯uorohydrin at the HF/6-311G pp level and reported an average bond length of1.453AÊfor the C±C bond in the oxirane ring,1.402AÊfor the C±O bond,and1.499AÊfor the neighbouring C±C bond.In this paper,we applied two approaches in an attempt to elucidate the unusually short bonds that occur in oxirane and its derivatives.Journal of Molecular Structure(Theochem)537(2001)253±2640166-1280/01/$-see front matter q2001Elsevier Science B.V.All rights reserved.PII:S0166-1280(00)00682-5www.elsevier.nl/locate/theochemq Dedicated to Professor SerafõÂn Fraga on the occasion of his70th birthday.*Corresponding author.E-mail address:vhsmith@chem.queensu.ca(V.H.Smith Jr.). 1Present address:Universidad AutoÂnoma del Edo de Morelos, Centro de Investigaciones QuõÂmicas,Av.Universidad No.1001 Col.Chamilpa.Cuernavaca,Mor.C.P.62210,MexõÂco.2.Results and discussionsThe chemistry and structure of three-membered rings(3MRs)including ethylene oxide have been the subject of many theoretical and experimental studies [15±25].Among these studies,there are two theoretical models,which have proved to be satisfactory in explaining the behaviour of the 3MR and oxirane in particular.The p -complex-back-donation (p -cbd)model,®rst proposed by Dewar and Ford [26],and later expanded by others [8,27±33],has been used to rationalize the substituent effect on the 3MR.The second model,based on the theory of atoms in molecules [34],was applied to 3MRs by Cremer and Kraka [19,20].2.1.The p -complex-back-donation modelIn the Molecular Orbital framework,one thinks of MOs as the result of the mutual overlap of several atomic orbitals.Since atomic and molecular orbitals in principle are the same,as each represents an orbital space that accommodates two electrons,it is possible that MOs can also overlap with different AOs to form new MOs.While s MOs are unable to overlap ef®ciently with other AOs for steric reasons;the same is not true for the p MOs.This idea is the essen-tial one behind the p -cbd model.This model consid-ers the 3MR as being composed of two parts:the ole®n fragment (basal)and the acceptor (apical)(see Fig.2).The ole®n can use its ®lled p MO to form a dative bond with the acceptor.The acceptor,on the other hand,has ®lled p or d AOs that can be used to form a reverse dative bond with the vacant (antibond-ing)p p MO of the ole®n.Thus,the formation of the 3MR can be thought of as the interaction between two opposed dative bonds resulting in an increase in the overall bonding between the ole®n fragment and the acceptor.It has been shown [35]that the electronegativity of the apical group will affect the degree of back donation.If the apical group is very electronegative,due to the difference in the energy between the p p MO of the ethy-lene fragment and the ®lled AO of the apical fragment,the back donation will be negligible and the predomi-nant effect will be the electron transfer from the p MO to the empty AO of the apical group.The resulting struc-ture will behave as a simple p -complex.If the apical group is weakly electronegative,the back donation willM.HoÃÁet al./Journal of Molecular Structure (Theochem)537(2001)253±264254Fig.1.1,2-Anhydro-3,4:5,6-di-O -isopropylidene-1-C -nitro-d -mannitol (1).be more signi®cant;the result will be the conventional 3MR.Dewar and Ford[26]showed that it is arbitrary to decide whether a compound is a p-complex or a3MR, and that the distinction is based entirely on the suitability for the interpretation of the experimental data.One should note,however,that,in examining the p-complex character according to this model,the essential criterion is not the electron density associated with the apical group but rather the ratio of electron transfer in the forward and reverse directions.Therefore,any change in the geometry of the molecule should be the result of both p-donation and the back-donation changes. Hoffmann and coworkers[27±29]and Allen and coworkers[8,30±32]extended this model using the Walsh orbital scheme[36],which deduces the mole-cular geometry based on the symmetries and energy orders of the AOs,to explain the geometric behaviour of cyclopropane and of some other heterocyclic compounds,although they did not treat oxirane and derivatives systematically.Analysis based on this scheme classi®es the substituents into four groups: s-withdrawing,s-donating,p-withdrawing,and p-donating,depending on the symmetry and relative energy levels of the interacting MOs belonging to these substituents.One still has to determine which MOs of the3MR will be affected by the substituents. The interaction of an electron-donor MO from the substituent with a bonding MO of the3MR will increase the bonding characteristic,and,therefore, will shorten the bond.On the other hand,if the same substituent interacts with an antibonding orbital of a particular bond,it will enhance the antibonding characteristic of that bond,and,as a result,lengthen it. The electron-withdrawing substituents also work in an analogous fashion.The determination of which MO will be affected by the substituent is a non-trivial task.For large mole-cules,there are many more MOs involved in the Walsh orbital picture,and,furthermore,these MOs are much closer together energetically and the extent of mixing of orbitals having the same symmetry and compatible energy is enhanced greatly[37].As will be shown below,the matter is further complicated by the fact that calculations at different levels of theory can reverse the order of close-lying MOs,particularly the HOMO±LUMO levels.An HF/STO-3G calculation by McAlduff and Houk [38]for the oxirane molecule using an experimentally determined structure shows that the®rst four HOMO ionization potentials are as follows: 2b1,4a1,2b2.1a2.Our result,also at the same level of theory using the same geometry,shows that the order is4a1,2b1,1a2.2b2.This order is consistent with that of Pople and coworkers[39]M.HoÃÁet al./Journal of Molecular Structure(Theochem)537(2001)253±264255Fig.2.The MO model of the three-membered ring according to Dewar and Ford[26].Table1Ionization potential order of oxirane at the HF level using different basis setsBasis set Ionization potential order ReferenceSTO-3G2b1,4a1,2b2,1a2McAlduff and Houk[38] STO-3G4a1,2b1,2b2,1a2This work6-31G p4a1,2b1,2b2,1a2Pople et al.[39]6-31G pp4a1,2b1,2b2,1a2This workDZ2b1 4a1,2b2,1a2Basch et al.[40] Expt.2b1,4a1,2b2,1a2Basch et al.[40] Expt.2b1,4a1,2b2 1a2Bieri et al.[44],Potts et al.[45]HF/6-31G p calculation and our HF/6-31G pp calcula-tion.An earlier Hartree±Fock calculation using aDouble Zeta basis set by Basch et al.,[40]predicted an almost degenerate MO:2b 1 4a 1,2b 2,1a 2(see Table 1).Basch et al.removed the degeneracy by further modifying the calculation,yielding the MO order 2b 1,4a 1,2b 2,1a 2.Within the Hartree±Fock scheme,Koopmans'theorem [41]is employed to approximate the ioniza-tion energies of the molecules as the negative of the SCF orbital eigenvalues.The differences between Koopmans'theorem ionization potentials and the experimentally derived vertical ionization potentials are due to the frozen orbital approximation.This approximation does not allow the ionized cation to stabilize itself by reorganizing its MOs after losing the electron.Since orbital relaxation is inherent in an ionization process,the MO levels predicted by Koop-mans'theorem may not be the same as those predicted by experimentally derived photoelectron spectra.Basch et al.also used photoelectron data to support their assignment of the MO levels.In subsequent investigations [38,42,43]on ethylene oxide and deri-vatives,interpretations were made assuming that Basch et al.'s assignments were correct.However,further experimental data from Bieri et al.[44]andPotts et al.[45]show a different ionization potential order for oxirane:2b 1,4a 1,1a 2 2b 2.To determine which MOs will interact with the substituent is even more complicated.For cyclopro-pane,Clark et al.[21]argue that the Walsh orbital having the largest coef®cient is the one most affected by the electronegativity of the substituent,an aspect which was not discussed in other similar studies.Even though symmetry and energy compatibility are the aspects that determine the interactions between MOs,the ®nal assignment should come from the experimental data.2.1.1.Oxirane and derivativesThe p -acceptor substituents,such as CH 21CN,NO 2,Li,BeH,and BH 2,having low-lying MOs will withdraw charge from the 2b 2HOMO of the oxirane molecule.This MO is bonding with respect to C±C and antibonding for C±O (see Fig.3).Thus,removing charge from this MO will shorten the C±O bond and lengthen the C±C bond.The experimentally deter-mined geometry of tetracyanoethylene oxide [46]shows that the C±C bond of tetracyanoethyleneoxide is 0.024AÊlonger than that of oxirane,and that the C±O bonds are 0.012AÊshorter than the C±O bonds of oxirane.M.HoÃÁet al./Journal of Molecular Structure (Theochem)537(2001)253±264256Fig.3.The HOMO 2b 2of oxirane.In the case of the s -acceptor substituents,the maininteraction could come from the 1a 2orbital of oxirane.This MO has a large coef®cient on the C atom and show C±X bonding characteristics (see Fig.4).The 2b 2MO also has C±X bonding characteristics,but with a smaller coef®cient at the C atom (see Fig.3).The 1a 2MO has antibonding characteristics for the C±C bond;thus,s -acceptor substituents,such as F,should shorten the C±C bond.The experimentally determined structure of cis -1,2di¯uorooxirane [47]exhibits a shortening of the C±C bond by 0.021AÊcompared to that of oxirane.The shortening of theC±O bonds by 0.027AÊin cis -1,2di¯uorooxirane is probably due to the contribution of the C±O antibond-ing 2b 2MO mentioned above.Other s -acceptor substituents are Cl,OH,and NH 3.According to Clark et al.[21]the CH 3group can also be considered as a s -acceptor group.A study of the crystal structure of methyloxirane [48]indicates that the CH 3substitu-ent indeed shortens both vicinal C±O and C±C bonds of the oxirane ring in the same manner as ¯uorine does.By interpreting photoelectron spectra,McAlduff and Houk [38]also con®rmed that the interaction between an oxirane ring and alkyl substituents arises mainly from the 1a 2and 2b 2MOs.Strong p -donor substituents can transfer charge to the low-lying 4b 1LUMO of oxirane.This MO has antibonding characteristics for both the C±O and C±C bonds (see Fig.5).Thus p -donor substituentssuch as CH 22and O 2would lengthen all three bonds in the 3MR.s -Donor substituents (e.g.Li)can alsointeract with the 4b 1MO of oxirane.Obviously,those substituents have strong C±X bond characteristics,and can interact in a manner similar to those of the s -acceptor substituents.The situation becomes more complicated,and requires more calculations and experimental data,if one wishes to assign the proper contributions of particular MOs.Currently,there have been few investigations about the effect of s -donor substituents on 3MR system.M.HoÃÁet al./Journal of Molecular Structure (Theochem)537(2001)253±264257Fig.4.The 1a 2Molecular Orbital ofoxirane.Fig.5.The LUMO 4b 1of oxirane.2.1.2.1,2-Anhydro-3,4:5,6-di-O-isopropylidene-1-C-nitro-d -mannitol (1)Following the Walsh orbital picture discussed above,one can look at (1)as an oxirane derivative having two substituent groups:the NO 2group and one comprised of two O -isopropylidene rings.Both groups will affect the geometry of the oxirane ring in (1)in a different way.NO 2,being a p -acceptor substituent,will shorten the vicinal C±O bond and lengthen the C±C bond.The fragment containing the two isopropylidene rings is a s -acceptor substitu-ent and thus would shorten both vicinal C±C and C±O bonds.The combined effect is that the C±O bond adjacent to the NO 2group in (1)is shortened by0.048AÊcompared to that in oxirane.The C±O bond adjacent to the di-O -isopropylidene fragment on theother hand is lengthened by 0.017AÊ,an observation which contradicts the predictions made above.A possi-ble explanation is that the interaction of the 2b 2MO which is responsible for the shortening of this C±Obond could be diminished by the perpendicular orien-tation of the 3,4-O -isopropylidene ring.Furthermore,CNDO calculations by Furman and Meleshevich [49]on the effect of an NO 2group on oxirane show weak-ening (therefore lengthening)of this C±O bond.2.2.The Laplacian of the charge density model The p -cbd model for oxirane can be viewed from a different perspective.While the Walsh orbital scheme is convenient computationally and visually,the theory of atoms in molecules [34]provides a more quantita-tive approach for the oxirane ring.From the p -cbd model,one can see that,for the dative donation,there is a charge build-up along the C 2axis of oxirane.Therefore,the resulting bond path would be from the apical oxygen to the midpoint of the basal ethylene.According to the catastrophe theory as applied to the topological approach (see,for example,chapter 4of Ref.[34]),such a structure is known as the T-structure and is topologically unstable.Any in®nitesimal change in the symmetry of the molecule will alter its geometry signi®cantly.For the back donation,the charge build-up from the occupied p orbital of oxygen to the empty antibonding MO of ethylene will result in two convex bond paths from oxygen to the carbon atoms.It is now possible to determine the predominant donation based solely on the molecular path of the molecule.If the apical group is more electronegative than the basal group,a concave molecular path will occur.A convex mole-cular path exhibits a strong dative donation in which the apical group is less electronegative than the basal group.This approach is a quanti®cation of the intui-tive orbital picture proposed by Dewar and Ford.Cremer and Kraka [19,20]studied a series of heterocyclic 3MRs to support this model.From Fig.6one can see the changes of the molecular paths with respect to the p -complex character of the molecules.Beryllocyclopropyne (BeC 2,structure n )possesses a T-structure,since the main charge build-up comes from the 2s orbital of the Be atom to the s bonding orbital of the basal fragment [50].Due to its extreme electronegativity,the ¯uoroethyl cation (structure 1)shows a very concave molecular path,which is almost a T-structure.Protonation of oxygen in oxirane makes it even more electronegative,as can be seen by the molecular path of the protonated oxirane (k )beingM.HoÃÁet al./Journal of Molecular Structure (Theochem)537(2001)253±264258Fig.6.Changes in molecular paths with respect to the p -complex character of the molecule (after Cremer and Kraka [19]).more concave than that of the neutral oxirane mole-cule(j).The importance of the back donation is demonstrated clearly in oxirane,cyclopropane(i), and,particularly,beryllocyclopropane(m)where the back donation has outweighed the dative donation due to the electropositivity of the beryllium atom.The effect of the substituent group on the oxirane ring can be investigated using the Laplacian of the charge density.According to topological de®nitions,the integration of the Laplacian of the charge density over the subspace V,de®ned by the zero-¯ux surface of r(r),vanishes:V72r ~r d~rs~7r ~r ´~n dS 0: 1Any changes in the Laplacian of r are accompanied by other changes within the subspace V boundary in order to satisfy Eq.(1).The physical interpretation of this equation can be explained by the example of an A±X molecule.If X is more electronegative than A, there will be a shift of the location of the bond critical point toward A due to the fact that the valence sphere of A is being pulled toward X.This deformation causes a decrease in the charge concentration of A in the direction of X;thus,Eq.(1)indicates that there must be an increase in the charge concentration at A in the opposite direction.An increase of the charge concentration in the inter-nuclear region shields the nuclei from repelling each other,and,hence,a shortened bond results.Similarly, a decrease in the charge concentration in this region will increase the nuclear±nuclear repulsion,causing a bond elongation.The Laplacian of the charge density indicates the locally electron-depleted and locally electron-concen-trated areas on the valence sphere of the substituents. The effect of these electronic holes and electronic lumps allows one to distinguish the substituents as s-attractor,s-repeller,p-attractor,or p-repeller. The s-attractor substituents,which transmit their effect through the bond path,withdraw electrons from the3MR,and thereby create an electronic hole in the adjacent carbon atom.According to Eq.(1) there will be electronic lumps toward the direction of the oxygen and the distal carbon atoms.These electronic lumps will deshield the vicinal carbon from the oxygen atom and the distal carbon.Conse-quently,shortening of the vicinal bond occurs.The electronic lumps also become staggered in order to avoid each other,thus making the distal bond longer. F,OH and NH2are substituents that have s-attracting ability,even though they also have stronger p-repel-lent effect.In the same manner,a s-repeller such as Li and BeH donates electrons to the adjacent carbon of the 3MR,thereby forming an electronic lump between itself and this carbon atom.Elongation of the vicinalM.HoÃÁet al./Journal of Molecular Structure(Theochem)537(2001)253±264259Fig.7.Model derivatives of(1).bonds occurs,due to the electron holes,toward the oxygen and the distal carbon atoms.The distal C±O bond contracts because of the reduction of the nuclear±nuclear repulsion.The p-attractors possess electronic holes in their valence spheres and the effects are transmitted through space rather than through the bond paths. CN,NO2,and phenyl act as p-attractors and cause a decrease of the charge density in the vicinal bond region,and,hence,shorten the distal bond and stretch the vicinal bonds.Strong p-repellers such as F,OH and NH2have the reverse effect on the3MR,namely contraction of the vicinal bonds and expanding of the distal one.2.2.1.1,2-Anhydro-3,4:5,6-di-O-isopropylidene-1-C-nitro-d-mannitol(1)To study the effect of the substituents on compound (1),its structure and six more derivatives were opti-mized using the AM1method[51].The starting geometry of(1)was taken from the X-ray structure [1].In order to study the effect of the substituents,the NO2and isopropylidene groups were also replaced or removed,and the structures were optimized indepen-dently(Fig.7).Missing experimental parameters were replaced mainly with data from Pople et al.[52]. The results from the AM1optimized geometry show good agreement with those from the crystal structural determination(see Tables2±5).For the most part,the optimized bond lengths agree within 2%with the experimental ones.The discrepancies of the C(1)±C(2)and C(2)±C(3)bond lengths are reasonable within the AM1approximation.Bond lengths involving the methyl groups,for example, C(7)±C(9)and C(10)±C(11),give large deviations. However,the similar type of bond in C(7)±C(8)and C(10)±C(12)shows better agreement.In general,the C±O bond lengths are reproduced satisfactorily. The bond angles show an average deviation of 2.5%.The largest deviation comes from the angleM.HoÃÁet al./Journal of Molecular Structure(Theochem)537(2001)253±264260Table2Bond lengths of AM1optimized structure of(1)Bond Distance(AÊ)Bond Distance(AÊ)Bond Distance(AÊ)O(1)±C(1) 1.425O(5)±C(5) 1.430C(4)±C(5) 1.533O(1)±C(2) 1.442O(5)±C(10) 1.438C(5)±C(6) 1.531O(1N)±N 1.199O(6)±C(6) 1.428C(7)±C(8) 1.522O(2N)±N 1.198O(6)±C(10) 1.431C(7)±C(9) 1.522O(3)±C(3) 1.431N±1C(1) 1.515C(10)±C(11) 1.522O(3)±C(7) 1.435C(1)±C(2) 1.498C(10)±C(12) 1.520O(4)±C(4) 1.430C(2)±C(3) 1.507O(4)±C(7) 1.434C(3)±C(4) 1.539Table3Bond angles of AM1optimized structure of(1)Bonds Angle(8)Bonds Angle(8)Bonds Angle(8) C(1)±O(1)±C(2)62.968O(1)±C(2)±C(3)116.053O(3)±C(7)±O(4)105.788 C(3)±O(3)±C(7)110.957C(1)±C(2)±C(3)120.954O(3)±C(7)±C(8)109.153 C(4)±O(4)±C(7)110.888O(3)±C(3)±C(2)110.148O(3)±C(7)±C(9)109.853 C(5)±O(5)±C(10)110.933O(3)±C(3)±C(4)105.305O(4)±C(7)±C(8)108.813 C(6)±O(6)±C(10)110.431C(2)±C(3)±C(4)112.323O(4)±C(7)±C(9)110.700 O(1N)±N±O(2N)123.232O(4)±C(4)±C(3)104.988C(8)±C(7)±C(9)112.311 O(1N)±N±C(1)117.175O(4)±C(4)±C(5)109.150O(5)±C(10)±O(6)105.843 O(2N)±N±C(1)119.563C(3)±C(4)±C(5)112.446O(5)±C(10)±C(11)109.332 O(1)±C(1)±N116.766O(5)±C(5)±C(4)108.479O(5)±C(10)±C(12)109.384 O(1)±C(1)±C(2)59.084O(5)±C(5)±C(6)105.141O(6)±C(10)±C(11)108.998 N±C(1)±C(2)120.266C(4)±C(5)±C(6)112.561O(6)±C(10)±C(12)110.630 O(1)±C(2)±C(1)57.948O(6)±C(6)±C(5)105.124C(11)±C(10)±C(12)112.434C(6)±O(6)±C(10)of the isopropylidene ring;surpris-ingly,the angles C(3)±O(3)±C(7)and C(5)±O(5)±C(7)are accurately reproduced.These results indicate a distortion of one side of each of the isopropylidene rings.The dihedral angles show the largest deviations. However,from Fig.8one can see that the optimized structure of(1)is less-closely packed than is the crys-tal one.This deviation could come from the fact that (1)is optimized in the gas phase,an approach which involves a structure,which has none of the intermo-lecular forces present in a crystal structure.The topological properties of these molecules were obtained using the semi-empirical wavefunctions produced with the AM1method.The bond critical points of the oxirane moiety of(1)and derivatives were used to analyse the effects of the NO2group and the fragment containing the two isopropylidene groups.It should be noted that,in this method,energy contributions arising from core electrons and their interactions with valence electrons are represented only in a parameterized form.Consequently,no expli-cit charge distribution associated with these electrons can be given.The AM1wavefunctions,therefore, contain only valence orbitals resulting in profound consequences for their topological analysis(see Fig.9).We have addressed this question by studying the topological properties of various valence type wave-functions[53].We found that there are problems for only a few systems,mostly of a p-bonded nature, having short bond lengths and large differences in atomic charges.In these systems,the bond critical points could not be located.The bond critical point by de®nition is the minimum in the charge density along the internuclear path.The short bond lengths plus the high atomic charges of the atoms suppress these minima.This feature is not due to the inability of AM1to calculate the charge density in the bonding region of these molecules,or to the direct contribution of the core orbitals to the charge density in this region. In fact,we have shown[53]that topological proper-ties of AM1wavefunctions are consistent with those of the Hartree±Fock calculations at the split-valence (6-31G)basis level.Furthermore,the missing core orbitals can be replaced with those from Near Hartree±Fock atomic wave functions[54]of the corresponding atoms.For the molecules studied here,this implementation was not necessary.NO2is a p-attractor group,a feature which shortens the C(2)±O bond and lengthens the C(1)±O and C(1)±C(2)bonds.A1,3-dioxolanyl group can be considered both as a s-attractor and a p-repellerM.HoÃÁet al./Journal of Molecular Structure(Theochem)537(2001)253±264261 Table4Difference in bond lengths(%)between optimized structure of(1)and crystal structureBond Bond BondO(1)±C(1) 2.66O(5)±C(5)21.22C(4)±C(5) 1.93O(1)±C(2)20.74O(5)±C(10) 1.30C(5)±C(6)0.54O(1N)±N21.42O(6)±C(6)22.07C(7)±C(8) 1.37O(2N)±N 2.00O(6)±C(10)20.32C(7)±C(9) 2.05O(3)±C(3)20.23N±C(1) 1.82C(10)±C(11) 2.83O(3)±C(7)0.86C(1)±C(2) 3.92C(10)±C(12)0.26O(4)±C(4)0.41C(2)±C(3) 1.58O(4)±C(7)0.84C(3)±C(4)20.20Table5Difference in bond angles(%)between optimized structure of(1)and crystal structureBonds Bonds BondsC(1)±O(1)±C(2) 3.4O(1)±C(2)±C(3)21.3O(3)±C(7)±O(4)20.1C(3)±O(3)±C(7) 1.3C(1)±C(2)±C(3)21.6O(3)±C(7)±C(8)0.4C(4)±O(4)±C(7) 3.3O(3)±C(3)±C(2)20.5O(3)±C(7)±C(9)20.1C(5)±O(5)±C(10)0.7O(3)±C(3)±C(4) 1.5O(4)±C(7)±C(8) 1.0C(6)±O(6)±C(10) 5.0C(2)±C(3)±C(4)20.3O(4)±C(7)±C(9)0.4O(1N)±N±O(2N)22.4O(4)±C(4)±C(3) 2.7C(8)±C(7)±C(9) 1.3O(1N)±N±C(1) 1.0O(4)±C(4)±C(5) 1.3O(5)±C(10)±O(6)0.4O(2N)±N±C(1) 1.5C(3)±C(4)±C(5)21.7O(5)±C(10)±C(11)20.8O(1)±C(1)±N 1.6O(5)±C(5)±C(4) 1.1O(5)±C(10)±C(12)0.9O(1)±C(1)±C(2)24.4O(5)±C(5)±C(6)0.7O(6)±C(10)±C(11) 1.1N±C(1)±C(2) 1.0C(4)±C(5)±C(6)0.0O(6)±C(10)±C(12)20.2O(1)±C(2)±C(1) 1.1O(6)±C(6)±C(5) 2.9C(11)±C(10)±C(12)21.3。
应用化工的参考文献
应用化工的参考文献以下是应用化工领域的一些参考文献：1. Warren L. McCabe, Julian C. Smith, Peter Harriott. Unit Operations of Chemical Engineering.这本经典的化学工程单元操作教材包涵了化学工程的各个方面，适合化学工程学习者参考。
2. Robert H. Perry, Don W. Green. Perry's Chemical Engineers' Handbook. 这本化工工程师的参考书包含了广泛的化工工程知识，涵盖了化工工程的设计、操作和优化。
3. James G. Speight. Handbook of Industrial Hydrocarbon Processes.这本手册提供了油气工业的各个方面的综合介绍，包括炼油、石油化工和天然气加工等内容。
4. Gerhard Förster, Herbert Göttlicher, Andreas Jess, Hans-Jürgen Kretzschmar. Solvents and Solvent Effects in Organic Chemistry.这本书详细介绍了有机化学中溶剂的选择和影响，适用于从事有机合成和有机反应的化学工程师。
5. Joseph A. Shaeiwitz. Applied Industrial Catalysis.这本书提供了工业催化的基本原理和实践知识，适用于从事催化反应和催化剂开发的化学工程师。
6. Michael T omczyk. Applied Process Control: A Case Study.这本书通过实际案例研究，介绍了过程控制在化工工业中的应用，适用于从事过程控制和自动化的化学工程师。
以上是一些常用的应用化工领域的参考文献，可以帮助你深入了解该领域的知识和实践。
化工安全英文文献
Chemical process safety chat Thank you for publishing the process safety-related article by Mr.Shah about layers of protection(p.67,April2010).I am a long-time reader and have seen very few,if any,articles in Hydrocarbon Processing that Iwouldthere PS now has over 120member companies in19countries.To learn more about CCPS,go to http://www. /ccps/.Adrian L.Sepeda,P.E.A.L.Sepeda Consulting Inc.Plano,TexasA dual-temperaturecontrol challengeIn his March2010"HPln Control" column(p.17),Y.Zak Friedman chal-lenged me"to write an article showing a real column having stable dual-temperature control."I have written many such articles in the past,so the history of success is well established.For example,see the applica-tion to a styrene-ethylbenzene column(OilGas],July28,1969) and to a series of columns in an NGL sepa-ration unit(Chem.Eng.reading my entire10-page article,"Multivariable Control ofDistillation,"appearing in Control in May,June and July2009.F.G.ShinskeyProcess Control ConsultantWolfeboro,New HampshireAuthor's responseMr.Shinskey's1969and1975papersare not relevant to the current argument.The papers are about mass balance controlstructure with analyzer feedback,sometimeswith a single tray temperature controller.Neither paper contains any process datato support Mr.Shinskey's position,but inany case,the argument that mass balance issometimes a useful control technique is notcontroversial.What is controversial is dualcomposition control implemented on top ofunstable dual-temperature control.I would repeat that the only reasonableway to promote a theory is to show that itworks in practice.I am actually surprised tohear that clients have declined to release Mr.Shinskey's technical papers.In myexperi-ence,clients who are proud of their APCapplications are eager to publish papers andparticipate as authors.Y.Zak FriedmanCorrecting a misperceptionThere was"misinformation"in the Janu-ary2010issue.I am referring to the"HPln-novations"section(p.19)which indicatesthat Curtiss-Wright's pressure-reliefsoftwarehas now been awarded a US patent.How-ever,the title gives an incorrect impressionto your readers("Pressure-relief softwareawardedgranted a patent.This pat-ent was granted in1995.As such,the titleof the article should read,"Pressure-reliefsoftware awarded a US patent."This changeremoves the ambiguity for your readers andis grounded in the aforementioned facts.Eva-Maria BaumannSiemens AG Energy SectorErlangen,GermanyA plastics fanI want to thank you for publishing thearticle,"Plastics enable better automobiledesigns"in your April2010issue(p.43).As someone who has been involved in theautomotive and petrochemical industriesfor over20years,I can't tell you how muchadvances in polymers have made vehiclessafer,lighter,more responsive and pro-portionally less expensive.The fact thatautomakers can use plastics in fenders andbumpers,instead of more expensive met-als,ups profit margins for producers andlowers sticker prices for consumers.By myreckoning,that's a good deal for everyone.While the world may not know how muchit depends on plastics,this community doesand we should continue to develop evenmore advanced polymers.Peter Sanderson,P.E.Grand Rapids,MichiganAn expression of loveI just love this statement by Heinz P.Bloch,"Don't employ the nonteachable,"from his May2010"HPln Reliability"col-umn.Sorry but it had me and our engineersin stitches.If this rule were applied at theCEO,COO and CFO levels,we mightbegin to get somewhere!Harry J.Gadey,Chern.E.,P.Eng,P.E.West Jordan,UrahHydrocarbonProcessingyour comments to:。
英文石油化工文献
and M. SHAW
Department of Plant Science, University of British Columbia, Vancouver 8, B.C., Canada (Received 25 November 1969) Abstrsct_--The major phenolic constituents in the cotyledons and young shoots of Linumusitatissimum L. consist of (a) nine glycosides and esters ofpcoumaric, caffeic, ferulic and sinapic acids and (b) six C-glycosides of O-glycoftavones. Substituted benxoic acid derivatives and flavonol glycosides were absent in both parts of the plant. INTRODUCTION APART FROM
Phytochcmistry, 1970. Vol. 9, pp. t855 to 1858. Peraamon Frwa.
F-rinted in England.
PHENOLIC CONSTITUENTS OF THE OIL FLAX (LINUM USITATIS’SIMUM)
R. K. IBBAHIM
1856
Re of substituted benxoic acids, especially p-hydroxybenxoic, protocatechuic, van& and syringic acids, in both cotyledons and young shoots, is remarkable. Although the biosynthesis of C& acids has been shown to proceed through their C& isomers, by a removal of two-carbon fragment, lo it seems that this mechanism is absent in flax tissues.
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什么是化工 英文作文
什么是化工英文作文英文：Chemical engineering is a branch of engineering that deals with the design, development, and operation of chemical processes and equipment. It involves the use of chemistry, physics, mathematics, and economics to solve problems related to the production and use of chemicals, fuels, drugs, food, and other products. Chemical engineers work in a wide range of industries, including oil and gas, pharmaceuticals, food and beverage, plastics, and environmental engineering.As a chemical engineer, I have been involved in the development of new processes for producing chemicals and materials. For example, I worked on a project to develop a new method for synthesizing a polymer that is used in medical devices. This involved designing and building a new reactor system, optimizing reaction conditions, and testing the product to ensure that it met the requiredspecifications.Another aspect of chemical engineering is process optimization. This involves analyzing existing processes to identify inefficiencies and areas for improvement. For example, I worked on a project to optimize a production process for a specialty chemical. We were able to reducethe cycle time, increase yield, and improve product quality, which resulted in significant cost savings for the company.中文：化学工程是一种工程学科，涉及化学过程和设备的设计、开发和操作。
化工简介英文作文
化工简介英文作文英文：Chemical engineering is a branch of engineering that deals with the design, development, and operation of chemical processes and equipment. It involves the use of chemistry, physics, mathematics, and economics to solve practical problems in the production of chemicals, fuels, and materials.As a chemical engineer, I work on a wide range of projects, from designing a new chemical plant to improving the efficiency of an existing process. For example, I might work on developing a new catalyst to make a chemical reaction more efficient, or I might design a new process to reduce the environmental impact of a particular chemical production process.One of the most challenging aspects of chemical engineering is balancing the competing demands of cost,efficiency, and environmental impact. For example, aprocess that is highly efficient may also be very expensive, while a process that is cheap may have a high environmental impact.Despite these challenges, I find chemical engineeringto be a rewarding and exciting field. I enjoy theopportunity to work on projects that have a real-world impact, and I am constantly learning new things andapplying my knowledge to solve complex problems.中文：化学工程是一门工程学科，涉及化学过程和设备的设计、开发和运营。
中文和外文化工文献数据库大全
中文和外文化工文献数据库大全一、中文数据库1、清华同方学术期刊网 /中国最大的数据库，内容较全。
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3 化工英语文献3.1化工英语文献的结构Title, (Author names, Affiliation),Abstract ，(Keywords),Introduction,Experimental,Results, Discussions (Results and discussions),Conclusions,Acknowledgements,References3.2 英语文献的检索Elsevier—science directSpringerlinkWiley interscience3.3 中英文摘要1、定义以提供文献内容梗概为目的，不加评论和补充解释，简明、准切地记叙文献重要内容的短文。
好的摘要对于增加论文的被检索和引用的机会、吸引读者、扩大影响起着不可忽视的作用。
2、摘要的类型和基本内容类型：根据内容的不同，摘要分为三大类：报道性摘要、指示性摘要和报道-指示性摘要。
1）报道性摘要（informative abstract）。
也称信息性摘要或资料性摘要。
其特点是全面、简要地概括论文的目的、方法、主要数据和结论。
通常，这种摘要可部分地取代阅读全文。
2）指示性摘要（indicative abstract）。
也称说明性摘要、描述性摘要（descriptive abstract）或论点摘要（topic abstract）。
一般只用二、三句话概括论文的主题，而不涉及论据和结论，多用于综述、会议报道等。
帮助读者决定是否需要阅读全文。
3）报道-指示性摘要（informative- indicative abstract）。
以报道性摘要的形式表述一次文献中信息总价值较高的部分，以指示性摘要的形式表述其余部分。
传统的摘要多为一般式，在内容上大致包括引言（introduction）、材料和方法（materials and methods）、结果（results）和讨论（discussion）。
即IMRAD3、EI对摘要的要求《EI》中国信息部要求信息性文摘(Information Abstract)应该用简洁、明确的语言(约300汉字，150 英文字)将论文的“目的(Purposes)”，主要的研究“过程(Procedures)”及所采用的“方法(Methods)”，由此得到的主要“结果(Results)”和得出的重要“结论(Conclusions)”表达清楚。
如有可能，还应尽量提一句论文结果和结论的应用范围和应用情况。
也就是说，要写好一篇完整的英文摘要，作者必须回答好以下几个问题(4Ws)：1) 本文的目的或要解决的问题(What I want to do?)2) 解决问题的方法及过程(How I did it?/ what method?)3) 主要结果及结论(What results did I get and what conclusions can I draw?)4) 本文的创新、独到之处(What is new and original in this paper?)科学研究注重定量分析，这一点也应该体现在科技论文的摘要中。
如果上述的4W都能在一篇摘要中找到答案，这才算是一篇比较完整的的摘要。
这样的摘要才会使整个论文的论述言之有物、有根有据，通过阅读摘要，读者对你独到的研究方法、过程、结果和结论有一个清晰的思路和全面的认识。
西方读者也总是特别强度和关注论文的创新和独到之处，否则，就认为论文没有价值。
例1. 通过实验方法研究含碳铁滴还原富氧化铁熔渣过程，根据实验现象分析含碳铁滴在熔渣中的行为变化规律，由此提出强化渣铁还原反应的有效措施。
如果有可能，要把具体的“熔渣过程”，“变化规律”和“强化渣铁还原反应的有效措施”写出来。
第一句话：讲一下你这篇文章的研究意义第二句话：以To elucidate the mechanism..., To investigate.... ,或者for the purpose of ....开头来讲述你这样研究的目的。
第三句话：.... was carried out .... with ...treatment. 讲述你研究的内容，研究的方法，第四句话：The result showed that ......, 讲述你这样研究得出的主要研究结果。
第五句话：The result of the present work implied that... 讲述由你的研究结果得出的结论。
另外，在摘要中不要用到参考文献。
要始终记住一点，Abstract 是一个独立的部分，换句话说，别人不看你的文章，只看你的Abstract 就能了解你的研究工作。
引言部分(1) 回顾研究背景，常用词汇有review, summarize, present, outline, describe等(2) 说明写作目的，常用词汇有purpose, attempt, aim等，另外还可以用动词不定式充当目的壮语老表达(3) 介绍论文的重点内容或研究范围，常用词汇有study, present, include, focus, emphasize, emphasis, attention等方法部分(1) 介绍研究或试验过程，常用词汇有test study, investigate, examine,experiment, discuss, consider, analyze, analysis等(2) 说明研究或试验方法，常用词汇有measure, estimate, calculate等(3) 介绍应用、用途，常用词汇有use, apply, application等结果部分(1) 展示研究结果，常用词汇有show, result, present等(2) 介绍结论，常用词汇有summary, introduce, conclude等讨论部分(1) 陈述论文的论点和作者的观点，常用词汇有suggest, report, present, expect, describe等(2) 说明论证，常用词汇有support, provide, indicate, identify, find, demonstrate, confirm, clarify 等(3) 推荐和建议，常用词汇有suggest, suggestion, recommend, recommendation, propose, necessity, necessary, expect等。
具体要求：A. 简洁1) 取消不必要的字句：如”It is reported …”“Extensive investigations show that…”“The author discusses …” “This paper concerned with …” ；文摘开头的”In this paper,”一些不必要的修饰词，如“in detail”、“briefly”、“here”、“new”、“mainly”也尽量不要。
2) 对物理单位及一些通用词可以适当进行简化。
3) 取消或减少背景信息（Background Information）。
一篇文摘的背景信息如果过长或占文摘篇幅的比例过大，则往往伴随着对作者所做的工作描述过于笼统和简单。
避免摘要第一句话重复题目或题目的一部分。
4）文摘只表示新情况，新内容，过去的研究细节可以取消；5）不说无用的话，如“本文所谈的有关研究工作是对过去老工艺的一个极大的改进”，“本工作首次实现了...”，“经检索尚未发现与本文类似的文献”等词句切不可进入文摘；6）作者在文献中谈及的未来计划不纳入文摘；7）尽量简化一些措辞和重复的单元，如：at a temperature of 250℃to 300℃------------------ at 250℃to 300℃at a high pressure of 2000 psig-------------------- at 2000 psigdiscussed and studied in detail------------------- discussed8) 文摘第一句应避免与题目（Title）重复。
B. 文体风格1）文摘叙述要完整，清楚，简明；2）尽量用短句子并避免句型单调；3）用过去时态叙述作者过去某一时段的工作（发现、实验、观察、调查、仿真等），用现在时态叙述作者的研究目的、研究内容、研究的结果和结论、提出建议或讨论等；例如：The structure of dislocation cores in GAP was investigated by weak-beam electron microscopy. The dislocations are dissociated into two Shokley partials with separations of 80±10 and 40±10 A in the pure edge and screw cases respectively. The results show that...4）能用名词做定语不要用动名词做定语，能用形容词做定语就不要用名词做定语。
例如：用measurement accuracy 代替measuring accuracy；用experimental results代替experiment results可直接用名词或名词短语作定语的情况下，要少用of 句型。
例如用measurement accuracy代替accuracy of measurement等等。
5）可用动词的情况尽量避免用动词的名词形式；例如：用Thickness of plastic sheets was measured而不用Measurement of thickness of plastic sheet was made.6）注意冠词用法，不要误用，滥用或随便省略冠词。
7）避免使用一长串形容词或名词来修饰名词，可以将这些词分成几个前置短语，用连字符连接名词组，作为单位形容词（一个形容词）。
如：用The chlorine-containing propylene-based polymer of high meld index.代替The chlorine containing high melt index propylene based polymer.8）尽量用主动语态代替被动语态，有助于文字清晰、简洁及表达有力。
9）尽量用简短、词义清楚并为人熟知的词；10）慎用行话和俗语；11）语言要简练，但不得使用电报型语言;如：Adsorption nitrobenzene on copper chromite investigation.应为：Adsorption of nitrobenzene on copper chromite was investigated. 12）文词要纯朴无华, 不需要多姿多态的文学性描述手法；13）组织好句子，使动词尽量靠近主语。