{"currentpage":1,"firstResult":0,"maxresult":10,"pagecode":5,"pageindex":{"endPagecode":5,"startPagecode":1},"records":[{"abstractinfo":"采用密度泛函理论B3LYP方法,在6-311+G(d,p)基组水平上研究了Mg(NH2)2与MgH2的放氢反应机理,优化了反应过程中反应物、中间体、过渡态和产物的几何构型.为了获得更精确的能量信息,用QCISD/6-31 l+G(d,p)方法计算了各驻点的单点能,并对总能量进行了零点能矫正.频率分析结果和内禀反应坐标(IRC)分析结果证实了中间体和过渡态的正确性,确认了反应过程.结果分析表明,通道第1步氢取代a反应→第2步氢取代f反应→Mg3N2的异构反应的控制步骤活化能最低,是该反应的主要通道.","authors":[{"authorName":"陈玉红","id":"0d68f786-dd22-47f1-a12c-00a9a989a656","originalAuthorName":"陈玉红"},{"authorName":"高合登","id":"35958798-8dd8-47dd-854b-276e48fb957d","originalAuthorName":"高合登"},{"authorName":"杨亮","id":"8f3fa7c3-2025-44c6-85f6-cfbdfc1731f2","originalAuthorName":"杨亮"},{"authorName":"<span style=\"color:red\">张</span><span style=\"color:red\">梅</span><span style=\"color:red\">玲</span>","id":"44fbda8b-a11f-42c0-b5bf-58cc7d7c53cb","originalAuthorName":"张梅玲"},{"authorName":"<span style=\"color:red\">张</span>材荣","id":"7aa774ce-b960-4cb6-a97f-f29da0b103fd","originalAuthorName":"张材荣"},{"authorName":"康龙","id":"6482ad1a-3b16-4329-a295-99474b6a7c9a","originalAuthorName":"康龙"},{"authorName":"罗永春","id":"00683cea-4a1e-4663-aab2-3d143e7bc086","originalAuthorName":"罗永春"}],"doi":"","fpage":"631","id":"075d2116-4866-47c2-9444-aee3da1b838b","issue":"3","journal":{"abbrevTitle":"XYJSCLYGC","coverImgSrc":"journal/img/cover/XYJSCLYGC.jpg","id":"69","issnPpub":"1002-185X","publisherId":"XYJSCLYGC","title":"稀有金属材料与工程"},"keywords":[{"id":"48671c8e-fbd1-457e-82d2-7c372c4481c7","keyword":"密度泛函理论","originalKeyword":"密度泛函理论"},{"id":"fd518b59-3ef6-42ef-94b4-977e05f2f8e0","keyword":"Mg(NH2)2","originalKeyword":"Mg(NH2)2"},{"id":"859ce483-fd23-457d-8823-df6cbdb85449","keyword":"MgH2","originalKeyword":"MgH2"},{"id":"524ec277-8be4-4b85-9f1e-6ad64cbed0a9","keyword":"反应机理","originalKeyword":"反应机理"},{"id":"56cb5c41-692a-47cf-babc-088ec4408a4f","keyword":"过渡态","originalKeyword":"过渡态"}],"language":"zh","publisherId":"xyjsclygc201403025","title":"Mg(NH2)2与MgH2放氢反应机理的理论研究","volume":"43","year":"2014"},{"abstractinfo":"采用离子膜电解法对高浓度氨氮废水进行脱氨预处理,对影响氨氮去除的几种因素进行了研究.6 V、60℃下去除率在75%以上.脱除的氨氮以浓氨水的形式回收,实现废物资源化.废水经脱氨后出水基本无色,COD也有一定降低.综合考虑能耗后,得出本实验条件下适宜的操作条件,去除率平均接近64%,为工业化应用提供了依据.","authors":[{"authorName":"<span style=\"color:red\">张</span><span style=\"color:red\">梅</span><span style=\"color:red\">玲</span>","id":"c2b28d3c-1d0e-4e4a-819a-93f001c5ca97","originalAuthorName":"张梅玲"},{"authorName":"蔚东升","id":"206928b3-3b28-4f6b-91a3-8154f3e85a85","originalAuthorName":"蔚东升"},{"authorName":"顾国锋","id":"9eab20f9-4683-4cb7-990d-40f5dab3d52b","originalAuthorName":"顾国锋"},{"authorName":"陈慧婷","id":"06268877-9712-44ee-8a7d-a72583f872c8","originalAuthorName":"陈慧婷"},{"authorName":"陶阳宇","id":"7537d1ff-dc37-4827-9ac1-e3d5a0fdb161","originalAuthorName":"陶阳宇"},{"authorName":"赵玉明","id":"d0734bb2-9a8b-425b-b2d2-d39447dc4c43","originalAuthorName":"赵玉明"}],"doi":"10.3969/j.issn.1007-8924.2007.02.013","fpage":"61","id":"e6206183-8f2d-4989-ac2a-ca4003949e03","issue":"2","journal":{"abbrevTitle":"MKXYJS","coverImgSrc":"journal/img/cover/MKXYJS.jpg","id":"54","issnPpub":"1007-8924","publisherId":"MKXYJS","title":"膜科学与技术   "},"keywords":[{"id":"18d76d51-6a04-4c81-837b-1692d9a66e1b","keyword":"阳离子交换膜","originalKeyword":"阳离子交换膜"},{"id":"49cb60a6-b952-4f48-9d07-e7f68628946c","keyword":"电解","originalKeyword":"电解"},{"id":"fe8d1825-0363-4e73-a37b-f7a3de235dcf","keyword":"味精废水","originalKeyword":"味精废水"},{"id":"57f9e2d2-62f5-4ce4-a57b-d1641e219411","keyword":"氨氮","originalKeyword":"氨氮"}],"language":"zh","publisherId":"mkxyjs200702013","title":"离子膜电解去除味精废水中氨氮的研究","volume":"27","year":"2007"},{"abstractinfo":"运用密度泛函理论(DFT)中的杂化密度泛函B3LYP方法在6-311 G*基组水平上对Mg3N2Hm(m=1～4)和(Mg3N2)nHm(n=2～4,m=1～2)团簇的可能几何结构进行优化,预测了其最稳定结构,并对最稳定结构的电子结构,成键特性,电荷分布,振动特性及稳定性等进行分析.结果表明:当团簇吸附H原子少于N原子数目时,一般形成-NH基;随着团簇吸附H原子数目的增加,当所有N原子吸H形成-NH基后,才有-NH基吸附H原子形成-NH2基;但并不是所有-NH基全部形成-NH2基的饱和结构,此时部分H原子会吸附于Mg原子上形成MgH结构.H原子易吸附于凸出的、包含孤对电子的N原子上;由于孤对电子间的排斥作用,H原子的吸附位置呈相互远离趋势.团簇中N-H之间是共价键作用,而Mg-H间是离子键作用,-NH和-NH2基在团簇中保持完整性,团簇可以很好地描述晶体的储氢行为.","authors":[{"authorName":"陈玉红","id":"ecd3fec6-199c-4201-ab30-6c3ab95bdd60","originalAuthorName":"陈玉红"},{"authorName":"李文强","id":"799e0a02-6e0a-4525-b8d4-af6c292b65bf","originalAuthorName":"李文强"},{"authorName":"<span style=\"color:red\">张</span><span style=\"color:red\">梅</span><span style=\"color:red\">玲</span>","id":"f3e7a502-2b4b-4593-890e-476927349fe2","originalAuthorName":"张梅玲"},{"authorName":"<span style=\"color:red\">张</span>材荣","id":"fe4bdf28-19bf-4bde-aa3a-7c3f10f22dfe","originalAuthorName":"张材荣"},{"authorName":"康龙","id":"b959427f-b4a7-4a5c-bcd6-2fb9a7dad898","originalAuthorName":"康龙"},{"authorName":"罗永春","id":"420ea59e-7fe3-4adf-a4d3-e20eac402121","originalAuthorName":"罗永春"}],"doi":"","fpage":"1182","id":"b5d81dc0-9a03-47c9-88f3-13b19b0c16e2","issue":"5","journal":{"abbrevTitle":"XYJS","coverImgSrc":"journal/img/cover/XYJS.jpg","id":"67","issnPpub":"0258-7076","publisherId":"XYJS","title":"稀有金属"},"keywords":[{"id":"4b0e39b7-feeb-4174-badc-31d3650a88e1","keyword":"(Mg3N2)nHm团簇","originalKeyword":"(Mg3N2)nHm团簇"},{"id":"72f27b06-0455-4dc5-b3f6-e1736b36a4d8","keyword":"吸附H","originalKeyword":"吸附H"},{"id":"0b8dd345-e40a-4048-aa62-8e1f905e7b58","keyword":"基态结构","originalKeyword":"基态结构"},{"id":"c4aafe55-0844-430a-89d8-a850ba6295be","keyword":"密度泛函理论","originalKeyword":"密度泛函理论"}],"language":"zh","publisherId":"xyjsclygc201605017","title":"Mg3N2团簇吸附H的密度泛函理论研究","volume":"45","year":"2016"},{"abstractinfo":"在<span style=\"color:red\">梅</span>钢2号连铸机生产过程中,漏钢事故经常发生,同时误报的次数较为频繁,严重影响板坯质量和铸机的高效化生产的情况.针对这种情况,<span style=\"color:red\">梅</span>钢自主研发了适合<span style=\"color:red\">梅</span>钢二号连铸机的漏钢预报系统.模型投用后完全避免了粘结漏钢,解决了困扰<span style=\"color:red\">梅</span>钢2号连铸机正常生产的难题,并且为公司节约巨额费用.","authors":[{"authorName":"田建良","id":"2912a4f1-07df-4193-8d9b-d7fbc4fe9c06","originalAuthorName":"田建良"},{"authorName":"陈开义","id":"4d3b73ea-cb43-472b-be7c-d2c7d5a2568d","originalAuthorName":"陈开义"},{"authorName":"江中块","id":"59cfa878-c55b-4755-855e-b1ded9b6eeea","originalAuthorName":"江中块"}],"doi":"","fpage":"15","id":"38ff962c-1726-4ac2-bd24-fbaf1325e382","issue":"3","journal":{"abbrevTitle":"LZ","coverImgSrc":"journal/img/cover/LZ.jpg","id":"52","issnPpub":"1005-4006","publisherId":"LZ","title":"连铸"},"keywords":[{"id":"b538988a-0a42-4076-8f61-67c873f52d89","keyword":"粘结漏钢","originalKeyword":"粘结漏钢"},{"id":"65bc285f-a178-4164-9021-d2f76792c9ba","keyword":"预报系统","originalKeyword":"预报系统"}],"language":"zh","publisherId":"lz201303005","title":"<span style=\"color:red\">梅</span>钢漏钢预报系统的开发与实践","volume":"","year":"2013"},{"abstractinfo":"在对轧制时钢管的温降原因进行分析的基础上,给出一种定<span style=\"color:red\">张</span>减温降计算模型,该模型考虑了辐射、接触传导、内部传导对温度的影响.通过对轧制实验测定得到钢管的温降数据与此模型实例计算的结果进行对比分析,表明该模型比较准确,能够满足生产实际的要求,可用于自动控制系统中定<span style=\"color:red\">张</span>减温降的计算,从而为控制系统比较准确地对轧机进行设定及调整提供依据.","authors":[{"authorName":"付国忠","id":"2df6a851-8f47-4b56-8f72-ddb7bbbcfe8c","originalAuthorName":"付国忠"},{"authorName":"刘建平","id":"7bbce9ac-9a32-45eb-96fd-189eee9a7fcf","originalAuthorName":"刘建平"},{"authorName":"赵晓峰","id":"447ac541-0f77-4dc8-b74d-90d05019a5dc","originalAuthorName":"赵晓峰"},{"authorName":"刘建明","id":"dab886da-88c3-485b-acd8-36bdef7ca181","originalAuthorName":"刘建明"},{"authorName":"吕庆功","id":"ca75c975-aa2d-40d9-a1bc-e6c2a6290dd3","originalAuthorName":"吕庆功"},{"authorName":"彭龙洲","id":"191fb78f-9fa7-4ff8-bd3d-f5d577b2254b","originalAuthorName":"彭龙洲"}],"doi":"","fpage":"51","id":"f9f1b624-57cd-4daa-8c3b-87273c5da7af","issue":"12","journal":{"abbrevTitle":"GT","coverImgSrc":"journal/img/cover/GT.jpg","id":"27","issnPpub":"0449-749X","publisherId":"GT","title":"钢铁"},"keywords":[{"id":"86dbadc0-1405-4493-8908-e33b69ac127a","keyword":"定<span style=\"color:red\">张</span>减","originalKeyword":"定张减"},{"id":"9e7152eb-09a1-44ea-a2de-6bbe76d243e5","keyword":"温降","originalKeyword":"温降"},{"id":"5b41b920-ede8-4551-8e68-3e12ea48cca0","keyword":"模型","originalKeyword":"模型"}],"language":"zh","publisherId":"gt200412013","title":"定<span style=\"color:red\">张</span>减温降计算模型","volume":"39","year":"2004"},{"abstractinfo":"<span style=\"color:red\">梅</span>钢铁水中磷含量偏高,冶炼低磷钢种有困难,通过对国内外降磷方法所采用的\"铁水炉外预脱磷\"、\"SRP法\"及\"转炉双渣法脱磷方法\"的比较分析,摸索出适合<span style=\"color:red\">梅</span>钢自身特点的方法--转炉同炉铁水脱磷炼钢工艺.通过在冶炼中采用前期造渣、中途倒渣的方法,将磷的质量分数降到≤0.01%,满足了生产低磷钢的要求.","authors":[{"authorName":"唐洪乐","id":"07f52dc6-c59e-4e0f-ae66-bd2d5c1bf385","originalAuthorName":"唐洪乐"},{"authorName":"汪洪峰","id":"ab27baba-5cb3-4e6f-99f0-9b2e0e782999","originalAuthorName":"汪洪峰"},{"authorName":"孙晓辉","id":"d53d7143-3298-436e-82b0-761567afc07b","originalAuthorName":"孙晓辉"}],"doi":"","fpage":"34","id":"645485c4-c2c3-41ec-95d8-e6e43c02277e","issue":"10","journal":{"abbrevTitle":"GT","coverImgSrc":"journal/img/cover/GT.jpg","id":"27","issnPpub":"0449-749X","publisherId":"GT","title":"钢铁"},"keywords":[{"id":"cb44b437-92fd-4616-8608-bf22a05dc3b7","keyword":"TBM顶底复吹","originalKeyword":"TBM顶底复吹"},{"id":"6fc84803-f180-4728-963f-0588623349d2","keyword":"脱磷率","originalKeyword":"脱磷率"},{"id":"f6649a2c-ccf1-418a-abb5-33f487c5c47a","keyword":"中磷铁水","originalKeyword":"中磷铁水"},{"id":"78984ddf-c3a0-4b3f-bee7-e43eb57898d4","keyword":"低磷钢","originalKeyword":"低磷钢"}],"language":"zh","publisherId":"gt200810008","title":"<span style=\"color:red\">梅</span>钢中磷铁水低磷钢冶炼问题的探讨","volume":"43","year":"2008"},{"abstractinfo":"通过对高压输电用耐<span style=\"color:red\">张</span>线夹及夹持导线的宏观形貌、化学成分、腐蚀产物进行分析,探讨了该线夹腐蚀失效的原因.结果表明:该线夹在压接时即存在铝线断股现象,服役过程中使酸性雨水更易进入到压接管内部,对线夹与钢芯铝绞线结合面进行腐蚀生成腐蚀产物,导致耐<span style=\"color:red\">张</span>线夹电阻增大;随着腐蚀的进行,线夹电阻不断增大,其温度也随之升高;当温度超过临界温度时,热平衡状态被打破,最终线夹过热,导致高温烧损失效;应加强线夹压接管位置的红外测温监控,及时更换温度明显异常的压接管.","authors":[{"authorName":"王若民","id":"67613948-e11f-48e5-825a-945647e34637","originalAuthorName":"王若民"},{"authorName":"詹马骥","id":"c5bfcec7-5a00-4e3d-b8c3-cc8ae36b1c5e","originalAuthorName":"詹马骥"},{"authorName":"季坤","id":"fad04bbc-1535-4f0d-b2d0-e0a6c3cd18b9","originalAuthorName":"季坤"},{"authorName":"严波","id":"5762aad4-1316-4f1b-a398-6bef540edc39","originalAuthorName":"严波"},{"authorName":"王夫成","id":"293d7a45-367c-4e72-b1e8-54671748e326","originalAuthorName":"王夫成"},{"authorName":"杜晓东","id":"34fa50d8-c180-4b94-bef4-334bb0b32a93","originalAuthorName":"杜晓东"}],"doi":"10.11973/jxgccl201703023","fpage":"112","id":"70c96a82-1183-4792-9903-a2d3f429c779","issue":"3","journal":{"abbrevTitle":"JXGCCL","coverImgSrc":"journal/img/cover/JXGCCL.jpg","id":"45","issnPpub":"1000-3738","publisherId":"JXGCCL","title":"机械工程材料"},"keywords":[{"id":"ba9620cc-12e4-4c4a-8ed2-dabf99baee9b","keyword":"耐<span style=\"color:red\">张</span>线夹","originalKeyword":"耐张线夹"},{"id":"e9262adb-ad1f-42ae-a53f-f8cf601c190c","keyword":"腐蚀","originalKeyword":"腐蚀"},{"id":"b1c65b70-8df7-4c01-b691-fbe881df0505","keyword":"热击穿","originalKeyword":"热击穿"},{"id":"08076d01-a062-4829-9d0a-13eb956fbedd","keyword":"钢芯铝绞线","originalKeyword":"钢芯铝绞线"}],"language":"zh","publisherId":"jxgccl201703024","title":"高压输电用耐<span style=\"color:red\">张</span>线夹失效的原因","volume":"41","year":"2017"},{"abstractinfo":"<span style=\"color:red\">梅</span>钢1420轧制力模型在Hill方程基础上,分解提炼3个关键因子,建立了显函数的轧制力模型,并进行变形抗力参数和摩擦系数参数的自适应修正以提高轧制力模型精度.经生产实践数据检验,该模型自适应系数在0.9～1.1以内,满足模型在线控制要求.","authors":[{"authorName":"<span style=\"color:red\">张</span>国兵","id":"adb5373a-3a30-458d-8e90-4ae6fd1098da","originalAuthorName":"张国兵"},{"authorName":"汪峰","id":"9144f473-d833-4e4f-9614-c298fdb5a7f8","originalAuthorName":"汪峰"},{"authorName":"翟承荣","id":"2f5addc9-6242-4e8b-8b78-c2394cf9e01c","originalAuthorName":"翟承荣"}],"doi":"10.3969/j.issn.1671-6620.2009.04.010","fpage":"287","id":"4083994b-1544-4e33-bf39-bee12298deea","issue":"4","journal":{"abbrevTitle":"CLYYJXB","coverImgSrc":"journal/img/cover/CLYYJXB.jpg","id":"17","issnPpub":"1671-6620","publisherId":"CLYYJXB","title":"材料与冶金学报"},"keywords":[{"id":"a25da65f-be79-42a8-b161-4702e1b8355e","keyword":"轧制力","originalKeyword":"轧制力"},{"id":"6bfadb87-6487-46c0-aa78-adbac5ae60b9","keyword":"1420mm冷连轧机","originalKeyword":"1420mm冷连轧机"},{"id":"257418b7-8611-4827-9abc-6ac61678ffab","keyword":"模型","originalKeyword":"模型"}],"language":"zh","publisherId":"clyyjxb200904010","title":"<span style=\"color:red\">梅</span>钢1420冷连轧机轧制力模型的开发及应用","volume":"8","year":"2009"},{"abstractinfo":"针对六<span style=\"color:red\">梅</span>金矿浮选生产中存在的问题,采用新型捕收剂C08浮选金,成功地取消了浮选过程中使用硫酸,将在酸性条件下选金变为碱性条件下选金,金回收率由84.96%提高到90.59%,金精矿富集比提高了3.72,并且降低了生产成本,提高了企业的经济效益.","authors":[{"authorName":"刘凤霞","id":"3bb03f57-c7fb-4fc6-8e16-68685d5c24a7","originalAuthorName":"刘凤霞"},{"authorName":"韦根远","id":"5234b2dd-8679-4e6f-9ad4-0df255993e87","originalAuthorName":"韦根远"},{"authorName":"陈建华","id":"8bd2578f-cce6-4088-a1bf-0a298bd260dd","originalAuthorName":"陈建华"},{"authorName":"刘长坚","id":"4657c0c9-631d-432c-9ee6-3f733b1cb8a8","originalAuthorName":"刘长坚"},{"authorName":"韦连军","id":"81302185-c9a5-4599-9c76-c87756d2524b","originalAuthorName":"韦连军"}],"doi":"10.3969/j.issn.1001-1277.2009.03.011","fpage":"47","id":"7164c83d-b6bc-4a92-a9ae-578724119bc5","issue":"3","journal":{"abbrevTitle":"HJ","coverImgSrc":"journal/img/cover/HJ.jpg","id":"44","issnPpub":"1001-1277","publisherId":"HJ","title":"黄金"},"keywords":[{"id":"b6299c97-f5ab-42c2-899d-913f90c48949","keyword":"新型捕收剂","originalKeyword":"新型捕收剂"},{"id":"266984c8-182a-4725-b21c-9a10b969331c","keyword":"金矿石","originalKeyword":"金矿石"},{"id":"a2322fed-b39f-4a5b-9fff-9710f2c30d2e","keyword":"浮选","originalKeyword":"浮选"},{"id":"dbe67402-4707-40dd-a295-f1f7054d6027","keyword":"金回收率","originalKeyword":"金回收率"}],"language":"zh","publisherId":"huangj200903011","title":"新型捕收剂C08在六<span style=\"color:red\">梅</span>金矿的应用","volume":"30","year":"2009"},{"abstractinfo":"为适应<span style=\"color:red\">梅</span>钢350万t钢的生产规模,同时满足面向冷轧产品的结构优化的需要,需对制约环节炼钢系统进行配套建设,其中包括新增1流连铸设备,基于现有工艺设备条件,配套建设目标等,对新增连铸设备的工程技术方案进行讨论,分析生产模式,技术装备组成,以期形成最佳技术方案.","authors":[{"authorName":"宋景欣","id":"ab7f2f61-96de-419c-af0d-c8bfdf41904c","originalAuthorName":"宋景欣"},{"authorName":"程乃良","id":"5df1d31b-984f-4f6c-84c1-06a47f91f66b","originalAuthorName":"程乃良"},{"authorName":"沈国强","id":"9c8efb79-7457-42fe-aff9-a03eac9683da","originalAuthorName":"沈国强"},{"authorName":"何海平","id":"eb74faf5-09a4-4b67-a8a8-d2d9637012d2","originalAuthorName":"何海平"},{"authorName":"刘江","id":"2cdc33b4-ca9c-48b4-8713-61be5d8ecaab","originalAuthorName":"刘江"},{"authorName":"周秀丽","id":"308d0165-d6e8-4e2e-b149-9c07c63b0611","originalAuthorName":"周秀丽"}],"doi":"10.3969/j.issn.1005-4006.2007.06.006","fpage":"20","id":"a20c3912-c6d5-48e6-a68f-620171da82ef","issue":"6","journal":{"abbrevTitle":"LZ","coverImgSrc":"journal/img/cover/LZ.jpg","id":"52","issnPpub":"1005-4006","publisherId":"LZ","title":"连铸"},"keywords":[{"id":"f329cca5-01d4-4488-92ae-64de59d9f15c","keyword":"连铸机","originalKeyword":"连铸机"},{"id":"5c4ace80-07eb-425d-8353-0265eea9ac17","keyword":"板坯","originalKeyword":"板坯"},{"id":"ffe95d41-543a-4440-a0a9-281a4d835bfb","keyword":"改造方案","originalKeyword":"改造方案"}],"language":"zh","publisherId":"lz200706006","title":"<span style=\"color:red\">梅</span>钢炼钢350万t配套连铸机建设方案讨论","volume":"","year":"2007"}],"totalpage":27,"totalrecord":268}