{"currentpage":1,"firstResult":0,"maxresult":10,"pagecode":5,"pageindex":{"endPagecode":5,"startPagecode":1},"records":[{"abstractinfo":"采用第一性原理(First principles)的赝势平面波法,结合广义梯度近似(GGA)及PW91算法,对煤中含镁物质菱镁矿MgCO3的电子结构和热力学性质进行了计算.首先,对菱镁矿MgCO3的结构进行优化,使其达到最稳定的状态,计算结果表明菱镁矿MgCO3晶胞体积V0=289.5320a.u.3,晶胞参数为a=b=4.7888A,c=14.5785A.其次,由声子谱态密度方法计算了菱镁矿MgCO3的熵、热容、焓及吉布斯自由能.最后,由相应的数据作出图 像,再由图像拟合成函数表达式.由微观计算得出的结果为煤灰结渣问题的研究提供了理论上的指导.","authors":[{"authorName":"","id":"031ff7b8-4230-4b71-b444-71d2b9491c47","originalAuthorName":"鲁贵林"},{"authorName":"杜梅芳","id":"d397fb44-65a7-4fbf-8908-5a56bfd90703","originalAuthorName":"杜梅芳"},{"authorName":"张忠孝","id":"15bf5b3c-ab57-4e5d-a46d-fd630e572ecf","originalAuthorName":"张忠孝"},{"authorName":"侯宁普","id":"05f63261-043a-4b33-bda6-80a17705e229","originalAuthorName":"侯宁普"},{"authorName":"李明强","id":"b5126266-34d2-4f28-9d88-9655d5b9b64c","originalAuthorName":"李明强"},{"authorName":"张影","id":"61cda2be-8ebc-456d-b397-5b4c89ff0dd8","originalAuthorName":"张影"}],"doi":"","fpage":"128","id":"007fc1c8-9091-4561-850f-66183d27f978","issue":"24","journal":{"abbrevTitle":"CLDB","coverImgSrc":"journal/img/cover/CLDB.jpg","id":"8","issnPpub":"1005-023X","publisherId":"CLDB","title":"材料导报"},"keywords":[{"id":"188d7472-3828-43b1-a160-6ad88ef12c92","keyword":"第一性原理","originalKeyword":"第一性原理"},{"id":"b2701736-1279-4fc9-a4a1-4ca3079433b1","keyword":"菱镁矿","originalKeyword":"菱镁矿"},{"id":"c3302a03-afa8-4355-abd4-aaf48e7e89c2","keyword":"电子结构","originalKeyword":"电子结构"},{"id":"26a24ad1-5057-417b-8ad6-b0f6015a3c5e","keyword":"热力学性质","originalKeyword":"热力学性质"}],"language":"zh","publisherId":"cldb201124034","title":"菱镁矿MgCO3热力学性质的第一性原理研究","volume":"25","year":"2011"},{"abstractinfo":"对煤制气再燃低NOx燃烧过程进行分析,采用量子化学密度泛函理论(DFT)研究NH2自由基与NO的反应机理.全参数优化了各反应物、中间体、过渡态和产物的几何构型,并计算了它们的能量,通过振动频率分析证实中间体和过渡态的真实性.同时用内禀反应坐标(IRC)计算以进一步确定过渡态.为了得到更精确的能量信息,在QCISD(T)水平上计算了单点能.对NH2自由基与NO反应机理进行分析比较,并通过模拟NH2自由基与NO的反应,得出通道NH2+ NO→ IM1→TS1→IM3→N2+ H2O的活化能最低(206.1kJ/mol),为最佳反应通道.揭示其微观机理,对进一步认识再燃脱氮的本质和主要过程提供了重要的理论依据和实践指导.","authors":[{"authorName":"张影","id":"d35c1f01-f4dd-4917-a8c9-43ee215c61e4","originalAuthorName":"张影"},{"authorName":"杜梅芳","id":"f8baa887-575c-4dda-a3a2-eda06c0966ab","originalAuthorName":"杜梅芳"},{"authorName":"吴高贺","id":"693f193a-71b8-4783-ae62-1f200634fc33","originalAuthorName":"吴高贺"},{"authorName":"侯宁普","id":"614323bf-6e90-48e7-ab74-d4f29d6529ff","originalAuthorName":"侯宁普"},{"authorName":"","id":"aed7ab42-4d27-4848-aeeb-3099a0d43678","originalAuthorName":"鲁贵林"},{"authorName":"张忠孝","id":"783c1b8b-c81f-4f3e-858a-85ebe44a71bb","originalAuthorName":"张忠孝"}],"doi":"","fpage":"91","id":"63cd76a5-adb3-42fb-b3ed-823050f0e0c7","issue":"20","journal":{"abbrevTitle":"CLDB","coverImgSrc":"journal/img/cover/CLDB.jpg","id":"8","issnPpub":"1005-023X","publisherId":"CLDB","title":"材料导报"},"keywords":[{"id":"e41addf7-3e2e-4d44-b439-ea910cdbb5c0","keyword":"NH2","originalKeyword":"NH2"},{"id":"059e66de-7598-4b4e-879d-2e6494625f62","keyword":"自由基","originalKeyword":"自由基"},{"id":"882f1936-3b6d-45c3-bc7f-e2fd316381b0","keyword":"NO","originalKeyword":"NO"},{"id":"f138486c-dae2-4766-aa71-121b5b509b81","keyword":"反应机理","originalKeyword":"反应机理"},{"id":"35b38944-b53a-4151-afd9-667bae1d6b5f","keyword":"活化能","originalKeyword":"活化能"}],"language":"zh","publisherId":"cldb201120023","title":"煤制气再燃中NH2与NO反应的物化研究","volume":"25","year":"2011"},{"abstractinfo":"对气体再燃低NOx燃烧过程进行分析,采用量子化学密度泛函理论研究了NH自由基与NO反应的机理,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,并计算了它们的能量,同时对它们进行振动分析,以确定中间体和过渡态的真实性.对NH自由基与NO反应机理进行了比较,并通过模拟NH自由基与NO的反应,得出通道NO+ NH→IM3→TS1→IM4→N2 +OH的活化能(100.03kJ/mol)最低,为主要反应通道.揭示其微观机理,对认识再燃脱硝的本质和主要过程具有重要的理论参考价值和实践指导意义.","authors":[{"authorName":"吴高贺","id":"f472b2b5-b449-49ae-aa65-1db4632aea3b","originalAuthorName":"吴高贺"},{"authorName":"杜梅芳","id":"028d9630-e336-401f-a900-43f7682d6bdd","originalAuthorName":"杜梅芳"},{"authorName":"侯宁普","id":"59f82e8d-22d3-4641-903a-d5ebdfaddffc","originalAuthorName":"侯宁普"},{"authorName":"张影","id":"7698fff2-33a3-4bb3-b345-a332b068dbd7","originalAuthorName":"张影"},{"authorName":"","id":"f086d8a9-b20f-484e-b255-933cd1f503bb","originalAuthorName":"鲁贵林"},{"authorName":"张忠孝","id":"9f6dbba8-e381-48b0-a1bf-fc6976230c31","originalAuthorName":"张忠孝"}],"doi":"","fpage":"144","id":"70811203-af2c-4bb0-9509-77cce44bd423","issue":"14","journal":{"abbrevTitle":"CLDB","coverImgSrc":"journal/img/cover/CLDB.jpg","id":"8","issnPpub":"1005-023X","publisherId":"CLDB","title":"材料导报"},"keywords":[{"id":"02127411-d903-4ed4-93b8-c69bba33f2ff","keyword":"NH自由基","originalKeyword":"NH自由基"},{"id":"b3ae54d4-842f-4da0-8add-d52a5f68df72","keyword":"反应机理","originalKeyword":"反应机理"},{"id":"8f07cfef-3b72-41c1-a438-af1628489ec8","keyword":"过渡态","originalKeyword":"过渡态"},{"id":"ad48843e-3215-4aa5-8874-d5fd029f1cbb","keyword":"反应通道","originalKeyword":"反应通道"},{"id":"1394ec54-9e04-46b9-b008-6ec5a35a09ae","keyword":"活化能","originalKeyword":"活化能"}],"language":"zh","publisherId":"cldb201114039","title":"用量子理论对煤粉再燃中NH自由基与NO反应的物化研究","volume":"25","year":"2011"},{"abstractinfo":"从理论上分析了采用真空蒸馏法分离铅中铅、银、铜、铋、锑的可行性,研究了蒸馏时间、蒸馏温度对铅中金属分离效果的影响规律。实验结果表明,当系统压力在10~20 Pa,温度在800℃以上,保温时间≥2 h时,铅和铋的挥发率接近100%,银和锑的挥发率随温度的升高、保温时间的增长而逐渐增大。当温度为850℃,保温时间为2 h时,所得残留物中铅、银、铜、铋、锑的含量分别为0.21%、45.31%、13.24%、0.0001%、33.6%,挥发物中铅、银、铜、铋、锑的含量分别为46.15%、0.236%、0.022%、8.87%、35.4%。","authors":[{"authorName":"包崇军","id":"892754f3-82fd-4d26-8b2a-7a985d5be010","originalAuthorName":"包崇军"},{"authorName":"蒋文龙","id":"ee09dad7-109d-407f-ad7c-5cc4de1efe34","originalAuthorName":"蒋文龙"},{"authorName":"李晓阳","id":"b6dfdb2f-f43d-42f2-b146-94ad2c089d63","originalAuthorName":"李晓阳"},{"authorName":"吴红","id":"3dd5453d-7baa-4ee2-b02f-1c00703c8d91","originalAuthorName":"吴红林"},{"authorName":"邹利明","id":"14252ee7-e2ee-4b12-bd47-b0bb974eabe3","originalAuthorName":"邹利明"},{"authorName":"罗凌艳","id":"d4dadb7b-ba4a-4489-afbd-dfdf5ada3e4b","originalAuthorName":"罗凌艳"},{"authorName":"柯浪","id":"1ed7aced-dded-4cd8-9b24-2ef93472f036","originalAuthorName":"柯浪"},{"authorName":"许娜","id":"2ecfc2ad-da25-4c8f-ab3e-bea9cea9b8fa","originalAuthorName":"许娜"},{"authorName":"田林","id":"7dd6811d-a25d-4985-9dcc-e24c9eab878f","originalAuthorName":"田林"}],"doi":"","fpage":"31","id":"8d276d92-5362-4625-b264-5da4f70330d8","issue":"z1","journal":{"abbrevTitle":"GJS","coverImgSrc":"journal/img/cover/GJS.jpg","id":"38","issnPpub":"1004-0676","publisherId":"GJS","title":"贵金属"},"keywords":[{"id":"b67ae8fb-8a6e-499c-b899-bb81257fef54","keyword":"有色金属冶金","originalKeyword":"有色金属冶金"},{"id":"37726ddb-e999-45ef-a001-03fcbb31aedb","keyword":"真空蒸馏法","originalKeyword":"真空蒸馏法"},{"id":"f68cb13c-d6df-45ec-bb8f-cc9af58293cd","keyword":"铅","originalKeyword":"贵铅"},{"id":"3bf693ce-1bb1-4d15-a3c2-4c3b39b2b500","keyword":"金属分离","originalKeyword":"金属分离"}],"language":"zh","publisherId":"gjs2014z1008","title":"真空蒸馏法处理铅新工艺研究","volume":"","year":"2014"},{"abstractinfo":"目前,氰化浸金仍是从矿石中提取金最主要方法.从氰化浸出液(矿浆)中回收金在工业生产中应用的方法主要有锌粉置换法、活性炭吸附法、离子交换树脂吸附法、电沉积法等,而溶剂萃取法、液膜法等尚在试验研究中.文中叙述了从氰化液中(矿浆)回收金的各种方法的发展、机理、优缺点及行业应用和研究现状,并对回收方法的选择进行了分析讨论.","authors":[{"authorName":"陈淑萍","id":"f0bab11d-6da1-4cf4-a1a8-da8181289e57","originalAuthorName":"陈淑萍"}],"doi":"10.3969/j.issn.1001-1277.2012.02.011","fpage":"43","id":"af133372-dfec-47b8-a2b8-cd4d14b0a30a","issue":"2","journal":{"abbrevTitle":"HJ","coverImgSrc":"journal/img/cover/HJ.jpg","id":"44","issnPpub":"1001-1277","publisherId":"HJ","title":"黄金"},"keywords":[{"id":"d66a50a9-e205-437e-a61e-f77a1a393fb6","keyword":"氰化液","originalKeyword":"氰化贵液"},{"id":"8bc659fc-aef0-4545-a37b-edf158513fa8","keyword":"锌粉置换","originalKeyword":"锌粉置换"},{"id":"13b51b0b-0f28-4b3a-b457-22f155cb8e0c","keyword":"吸附","originalKeyword":"吸附"},{"id":"96ffb9b7-eda7-4432-877d-7d5e97932077","keyword":"回收金","originalKeyword":"回收金"}],"language":"zh","publisherId":"huangj201202011","title":"从氰化液(矿浆)中回收金技术进展","volume":"33","year":"2012"},{"abstractinfo":"东花岗杂岩体是一个由溪岩体、下庄岩体、帽峰岩体、笋洞岩体、隘子岩体和司前岩体等组成的印支-燕山期复式花岗岩体, 不同的岩体不仅在主要元素含量、铝过饱和指数等方面存在差异, 而且在一系列稀土元素特征方面, 如稀土总量、δEu值以及LREE/HREE、 (La/Yb)N、 (La/Sm)N、 (Gd/Yb)N比值等, 也存在很大的不同. 铀矿体常常赋存在强过铝质、并且后期发生了强烈的流体-岩石相互作用的花岗岩体中, 这些岩体典型的稀土元素特征是稀土总量、δEu、 LREE/HREE、 (La/Yb)N、 (La/Sm)N、 (Gd/Yb)N比值等均较低, 并具有M型四分组效应.","authors":[{"authorName":"张展适","id":"38c4b036-f605-4685-b7d0-a17d3bb63cbb","originalAuthorName":"张展适"},{"authorName":"华仁民","id":"f19d6f4f-d0ee-41b1-a851-ebb15d6a2c3c","originalAuthorName":"华仁民"},{"authorName":"刘晓东","id":"aff91c1f-e407-4d70-a2bf-c08c5b44013b","originalAuthorName":"刘晓东"},{"authorName":"邓平","id":"1635dc13-97d4-494d-8a36-2ccff85d4fc4","originalAuthorName":"邓平"},{"authorName":"吴烈勤","id":"0216f049-a118-4c9c-ae27-03afbce0011b","originalAuthorName":"吴烈勤"}],"doi":"","fpage":"749","id":"f26677df-895e-4ef3-8c08-2ce4049b1804","issue":"6","journal":{"abbrevTitle":"ZGXTXB","coverImgSrc":"journal/img/cover/ZGXTXB.jpg","id":"86","issnPpub":"1000-4343","publisherId":"ZGXTXB","title":"中国稀土学报"},"keywords":[{"id":"d4bf97ba-a9d8-4fe1-b6cf-84adc7e735de","keyword":"东花岗杂岩体","originalKeyword":"贵东花岗杂岩体"},{"id":"fcd5dfb5-1fe6-4f55-b2e0-74f276dab613","keyword":"流体-岩石相互作用","originalKeyword":"流体-岩石相互作用"},{"id":"10a058b9-504b-4224-b025-d9876cb001a0","keyword":"四分组效应","originalKeyword":"四分组效应"},{"id":"18c9b407-c207-4a75-8953-64b6c0ea5ed9","keyword":"铀成矿","originalKeyword":"铀成矿"},{"id":"fe27a465-7b86-4b25-aa6f-ab37175f9b85","keyword":"帽峰岩体","originalKeyword":"帽峰岩体"},{"id":"105fe22d-d18d-4be3-a2f3-3c9a3deb3df7","keyword":"稀土","originalKeyword":"稀土"}],"language":"zh","publisherId":"zgxtxb200506022","title":"东花岗杂岩体的稀土元素特征及与铀成矿关系","volume":"23","year":"2005"},{"abstractinfo":"提出了一个实用而简便的测定液中金和钯的方法.在瓷坩埚中蒸干液,残渣与混合试剂熔炼,灰吹,贵金属合粒用酸溶解,原子吸收法测定金和钯.该方法准确,适用范围广.","authors":[{"authorName":"林海山","id":"018ae545-a511-4550-80be-4839cc21187a","originalAuthorName":"林海山"}],"doi":"10.3969/j.issn.1001-1277.2002.05.014","fpage":"44","id":"acfc0866-2e86-44d3-80c5-6c8b2f050987","issue":"5","journal":{"abbrevTitle":"HJ","coverImgSrc":"journal/img/cover/HJ.jpg","id":"44","issnPpub":"1001-1277","publisherId":"HJ","title":"黄金"},"keywords":[{"id":"84a060b4-6883-4de1-a3cc-e03de16d5175","keyword":"简易试金","originalKeyword":"简易试金"},{"id":"9d57c679-96fe-4c8e-b676-6fe541de8136","keyword":"液","originalKeyword":"贵液"},{"id":"5ff6e6db-3dfd-4d22-b3d9-032c8cbf54a6","keyword":"金","originalKeyword":"金"},{"id":"5ac2cb9d-e763-4695-90c1-c27d3bbf9519","keyword":"钯","originalKeyword":"钯"}],"language":"zh","publisherId":"huangj200205014","title":"简易试金法测定液中的金和钯","volume":"23","year":"2002"},{"abstractinfo":"高铅金银矿粉氰化过程产生的高铅液,进一步采用锌粉置换时其中溶解的铅易被置换出来,从而使银泥品位大幅下降,且会对后续的冶炼作业带来困难。为解决液中高含量铅造成的影响,进行了降铅试验研究。其结果表明:通过控制浸出工艺碱度,液二次置换、Na2 CO3预先除铅,均可有效解决液中铅含量过高而对生产造成的影响。","authors":[{"authorName":"王文强","id":"2814c8ae-d491-48e5-bf2f-6160fb4a13a2","originalAuthorName":"王文强"},{"authorName":"王金超","id":"4a899c1d-e13f-437f-9aee-e4b5919b2634","originalAuthorName":"王金超"},{"authorName":"姜传进","id":"3755613f-e2e3-4fa6-9702-4d20fc1f5111","originalAuthorName":"姜传进"}],"doi":"10.11792/hj20160314","fpage":"64","id":"20d7db5b-6494-48b4-a5aa-3e0cc1d8e30c","issue":"3","journal":{"abbrevTitle":"HJ","coverImgSrc":"journal/img/cover/HJ.jpg","id":"44","issnPpub":"1001-1277","publisherId":"HJ","title":"黄金"},"keywords":[{"id":"7b55b97b-e6ad-49a6-af9c-1e3abd23dc53","keyword":"高铅液","originalKeyword":"高铅贵液"},{"id":"962d0e7a-6972-42aa-85fb-3178fcc59e02","keyword":"Na2 CO3除铅","originalKeyword":"Na2 CO3除铅"},{"id":"4f622fb3-e982-4bf2-9243-9bf42cb74f6c","keyword":"锌粉置换","originalKeyword":"锌粉置换"},{"id":"983efbd2-48a4-4dec-a81f-c9067f85d50d","keyword":"氰化","originalKeyword":"氰化"}],"language":"zh","publisherId":"huangj201603015","title":"金银氰化浸出中高铅液的产生原因及处理方法","volume":"37","year":"2016"},{"abstractinfo":"介绍了卡型金矿称谓的演变及不同学者在卡型金矿认识上的差异,通过分析这些不同称谓演变和认识上的差异,结合笔者多年来在滇黔桂\"金三角\"地区的找矿实践和思考,认为:对卡型金矿应\"只求同\"(要求其最基本的表面的特征相同或相似),\"须存异\"(容矿岩石、产出地质背景、成因等有所不同),卡型金矿本身不具有成因意义,不是一种成因类型;判别卡型金矿有4条标准;依据4条标准,将卡型金矿定义为区带上_集中分布的(超)微细、浸染、中低温热液矿床.","authors":[{"authorName":"周余国","id":"601a5c6e-0362-415f-aba4-40c05967bfaa","originalAuthorName":"周余国"},{"authorName":"刘继顺","id":"90a5d0aa-e03e-4dac-8ce2-bdcbac61b5d7","originalAuthorName":"刘继顺"},{"authorName":"欧阳玉飞","id":"d958db5b-4345-4219-9031-051aac245d76","originalAuthorName":"欧阳玉飞"},{"authorName":"何兆波","id":"63824c72-c6e3-4a72-b2ea-8d4422cbe96f","originalAuthorName":"何兆波"},{"authorName":"高启芝","id":"bd8ebde0-4a11-4919-aa91-ff82b0e860bc","originalAuthorName":"高启芝"}],"doi":"10.3969/j.issn.1001-1277.2008.11.003","fpage":"7","id":"916bd044-ae39-4754-9af3-178aef2edf2d","issue":"11","journal":{"abbrevTitle":"HJ","coverImgSrc":"journal/img/cover/HJ.jpg","id":"44","issnPpub":"1001-1277","publisherId":"HJ","title":"黄金"},"keywords":[{"id":"75039784-1063-478e-adec-5dc3d4f82eca","keyword":"卡型金矿","originalKeyword":"卡林型金矿"},{"id":"56223c23-11f7-4bf1-b40c-ed63013eefb5","keyword":"判别标准","originalKeyword":"判别标准"},{"id":"c1d26690-d78f-46b0-9903-3a6a6ca2c701","keyword":"再定义","originalKeyword":"再定义"}],"language":"zh","publisherId":"huangj200811003","title":"卡型金矿的再定义","volume":"29","year":"2008"},{"abstractinfo":"针对气动弹性结构,利用遗传-敏度混合算法开展棒优化设计.以大展弦比复合材料机翼的棒气动弹性结构优化设计为例验证了棒设计方法的适用性和有效性,比较了棒结构优化设计与传统优化设计的区别.研究结果表明:在设计变量存在不确定性的情况下,考虑棒性约束优化得到的结构较传统优化结构具有更好的抗干扰性;但棒性的满足是以增加结构质量为代价的,棒性要求越高,结构增重越明显.","authors":[{"authorName":"肖志鹏","id":"637db4a3-efb5-4cd9-8255-dc3fbe2a2f1e","originalAuthorName":"肖志鹏"},{"authorName":"万志强","id":"5a552e7d-f195-463f-8da5-b87b7bd5e452","originalAuthorName":"万志强"},{"authorName":"杨超","id":"7d5d6cc3-ff00-4e63-bdf1-fd3aeacd305b","originalAuthorName":"杨超"},{"authorName":"吕斌","id":"9faf4db1-dc15-47d6-a52e-b353c58f4220","originalAuthorName":"吕斌"}],"doi":"","fpage":"127","id":"992a2334-c2ec-4016-a5f8-cc8f74b6b127","issue":"2","journal":{"abbrevTitle":"FHCLXB","coverImgSrc":"journal/img/cover/FHCLXB.jpg","id":"26","issnPpub":"1000-3851","publisherId":"FHCLXB","title":"复合材料学报"},"keywords":[{"id":"b2b85d38-f675-4340-bae8-5b7ab63030fb","keyword":"气动弹性","originalKeyword":"气动弹性"},{"id":"82c9393b-decd-45e9-b279-dc8b5673abd5","keyword":"棒结构设计","originalKeyword":"鲁棒结构设计"},{"id":"938e4c22-b8e3-482e-a4c8-d3d4fbca2eb1","keyword":"混合算法","originalKeyword":"混合算法"},{"id":"c5ea17c2-f34c-4214-8f58-f4b5ed8c932f","keyword":"复合材料","originalKeyword":"复合材料"},{"id":"eb83805f-fd7c-41d6-a5ab-03a6dad45a4f","keyword":"配平","originalKeyword":"配平"},{"id":"ccec7fc6-387f-492f-84f5-988782a26827","keyword":"颤振","originalKeyword":"颤振"}],"language":"zh","publisherId":"fhclxb201002022","title":"复合材料机翼棒气动弹性优化设计","volume":"27","year":"2010"}],"totalpage":35,"totalrecord":348}