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羟烷基胺功能化离子液体吸收SO_2的量子化学计算(英文) 被引量:9
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作者 李学良 陈洁洁 +2 位作者 罗梅 陈祥迎 李培佩 《物理化学学报》 SCIE CAS CSCD 北大核心 2010年第5期1364-1372,共9页
采用量子化学中的密度泛函理论(DFT)对羟烷基胺离子液体(HyAAILs)与二氧化硫(SO2)的相互作用进行了研究.通过几何结构优化,电荷分布和热力学参数计算等来确定离子液体中能够有效吸收SO2的官能团.HyAAILs与SO2反应形成平均距离为0.240nm... 采用量子化学中的密度泛函理论(DFT)对羟烷基胺离子液体(HyAAILs)与二氧化硫(SO2)的相互作用进行了研究.通过几何结构优化,电荷分布和热力学参数计算等来确定离子液体中能够有效吸收SO2的官能团.HyAAILs与SO2反应形成平均距离为0.240nm的S—N键,导致电荷从ILs转移到SO2以及S—O键长和O—S—O键角的改变.气态和液态模型的计算结果表明,标准吉布斯函数变(△G苓)主要取决于阳离子的结构和分子质量.阳离子结构影响了吸收反应能垒,对于三种阳离子体系的反应活化能顺序为:Ea(secondary)<Ea(tertiary)<Ea(primary).理论计算结果得到了实验数据的验证,羟乙基伯胺离子液体吸收的SO2理论摩尔分数与文献中的实验数据非常接近.本研究提供了一种预测和验证功能离子液体性质的有效方法. 展开更多
关键词 密度泛函理论 羟烷基胺离子液体 热力学性质 活化能 实验验证
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用于产生可染色的交联棉的羟烷基胺添加剂
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作者 张幼敏 《印染译丛》 1992年第6期100-104,共5页
关键词 可染色 交联棉 羟烷基胺 助剂
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A novel surfactant N-hydroxy-9,10-epoxy group-octadecanamide:Part II.Its synthesis and application in flotation separation of spodumene and albite
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作者 Wei-di ZHANG Meng-jie TIAN Wei SUN 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2024年第9期3002-3015,共14页
A novel hydroxamic acid,N-hydroxy-9,10-epoxy group-octadecanamide(N-OH-9,10-O-ODA),was synthesised by modifying the structure of oleic acid.The carboxyl group of oleic acid was converted into an N-hydroxy amide group,... A novel hydroxamic acid,N-hydroxy-9,10-epoxy group-octadecanamide(N-OH-9,10-O-ODA),was synthesised by modifying the structure of oleic acid.The carboxyl group of oleic acid was converted into an N-hydroxy amide group,and an epoxy group was introduced into its structure.N-OH-9,10-O-ODA was used as a novel collector in the flotation separation of spodumene from one of its associated gangue minerals,specifically albite.N-OH-9,10-O-ODA exhibits remarkable selectivity,with a stronger affinity for collecting spodumene particles compared to albite particles.Zeta potential measurements and X-ray photoelectron spectroscopic analysis reveal that the adsorption quantity of N-OH-9,10-O-ODA on spodumene surface is comparable to that on albite surface.First-principles calculations demonstrate the diverse adsorption configurations of N-OH-9,10-O-ODA on surfaces of spodumene and albite,leading to its distinct collecting abilities for spodumene and albite particles. 展开更多
关键词 N-hydroxy-9 10-epoxy group-octadecanamide SPODUMENE ALBITE flotation separation oleic acid
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可固化氟聚物及其耐擦划涂膜
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《现代涂料与涂装》 CAS 2002年第6期50-50,共1页
关键词 可固化氟聚物 耐擦划涂膜 光学涂料 羟烷基胺 烷氧基烷基 官能团
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Industrial Synthesis of N-Methylhydroxylamine Hydrochloride by Electrochemical Reduction of Nitromethane 被引量:2
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作者 甘永平 张文魁 +2 位作者 黄辉 夏新辉 陈永胜 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2006年第5期649-653,共5页
An industrial electrolytic cell was designed for the electrochemical synthesis of N-methylhydroxylamine hydrochloride (N-MHA). Copper was used as the cathode, graphite as the anode, and a cation membrane as the sepa... An industrial electrolytic cell was designed for the electrochemical synthesis of N-methylhydroxylamine hydrochloride (N-MHA). Copper was used as the cathode, graphite as the anode, and a cation membrane as the separator. The results show that N-MHA with a high purity of 99% can be electrosynthesized directly from nitromethane in HC1 solution. Under a constant current of 1000-2500A.m^-2 in the temperature of 30-50℃, the average yield, current efficiency, and reaction selectivity were 65%, 70%, and 99%, respectively. Graphite electrode and membrane material can be used continuously in the preparative electrolysis for 5000h. Moreover, the effects of the electrode and membrane materials, current intensity, electrolyte temperature, and other associated parameters on the electrosynthesis results were investigated. The direct current power consumption was 8151.3kW-h-(1000kg N-MHA)^ -1. This method is a simple separation process with limited contamination and hence, is a new green synthesis method for the industrial production of N-MHA. 展开更多
关键词 N-methylhydroxylamine hydrochloride ELECTROSYNTHESIS NITROMETHANE
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Flotation of kaolinite with dodecyl tertiary amines 被引量:1
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作者 曹学锋 刘长淼 胡岳华 《Journal of Central South University》 SCIE EI CAS 2009年第5期749-752,共4页
The flotation of kaolinite using a series of tertiary amines (N,N-dimethyl-dodecyl amine (DRN), N,N-diethyl-dodecyl amine (DEN), N,N-dipropyl-dodecyl amine (DPN) and N,N-dibenzyl-bodecyl amine (DBN)) was inv... The flotation of kaolinite using a series of tertiary amines (N,N-dimethyl-dodecyl amine (DRN), N,N-diethyl-dodecyl amine (DEN), N,N-dipropyl-dodecyl amine (DPN) and N,N-dibenzyl-bodecyl amine (DBN)) was investigated. The results show that the maximum recoveries of kaolinite for DEN, DPN and DRN are 93%, 88% and 84%, respectively, but that of DBN is very low. On the basis of zeta potential and FT-IR spectra, the ionization of surface hydroxyl and isomorphic exchange of surface ions account for the charging mechanisms of kaolinite surface. The adsorption mechanism of tertiary amines on kaolinite surface is mainly electrostatic. The isoelectric point (IEP) of kaolinite increases from 3.4 to some more positive points after the interaction of kaolinite with the four tertiary amines. The FT-IR spectra of kaolinite change with the presence of some new sharp shapes belonging to the tertiary amines. The inductive electronic effects and space-steric effects of -CH3, -C2H5, -C3H7 and -C7H7 bonding to N atom result in different collecting power of the four tertiary amines. 展开更多
关键词 KAOLINITE tertiary amine FLOTATION electrostatic effect inductive electronic effect space-steric effect RECOVERY
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Thermodynamic and experimental studies on removal of calcium and sulfate ions from recycling water of complex sulfide flotation operations 被引量:1
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作者 Elvis BUSTOS-FLORES Martha Araceli ELIZONDO-ÁLVAREZ Alejandro URIBE-SALAS 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2021年第10期3116-3127,共12页
A chemical method for removing calcium sulfate saturated solutions(0.016 mol/L CaSO_(4))using barium chloride(BaCl_(2)∙2H_(2)O)and sodium phosphate(Na_(3)PO_(4))was experimentally studied.The main interest is to remov... A chemical method for removing calcium sulfate saturated solutions(0.016 mol/L CaSO_(4))using barium chloride(BaCl_(2)∙2H_(2)O)and sodium phosphate(Na_(3)PO_(4))was experimentally studied.The main interest is to remove these ions from the solution through the precipitation of two solid species:sulfate(SO_(4)^(2−))as barite(BaSO4),and calcium(Ca^(2+))as hydroxyapatite(Ca_(5)(PO_(4))_(3)OH).Additionally,a solid/liquid separation method(i.e.,flotation)was explored,using oleic acid and dodecylamine as collectors.The results show that,the chemical treatment of saturated solutions at 60℃,pH 11.5 and using 3.9 g/L BaCl_(2)·2H_(2)O and 1.6 g/L Na_(3)PO_(4),promotes the precipitation of barium sulfate and calcium-deficient hydroxyapatite(Ca_(10−x)(HPO_(4))_(x)(PO_(4))_(6−x)(OH)_(2−x)),with residual concentrations of calcium and sulfate below 0.10 and 5 mg/L,respectively.The residual calcium concentration increases to 28 mg/L when using the same amount of reactants,at temperature and pH values below those quoted.The highest flotation recovery of hydroxyapatite with oleic acid at pH 9.5 was about 80%,while that of barite floated with dodecylamine at pH 6.5 was about 90%. 展开更多
关键词 CALCIUM SULFATE DODECYLAMINE oleic acid BARITE HYDROXYAPATITE flotation separation
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Influence of temperature on mechanical stimulation threshold of typical liquid propellant
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作者 JIANG Yuxuan JIN Shanpin +5 位作者 JIANG Rongpei TANG Yulin WU Xingliang XU Feiyang XU Sen LIU Dabin 《Journal of Measurement Science and Instrumentation》 CAS CSCD 2021年第2期154-159,共6页
In order to study the variation of temperature to mechanical stimulation threshold of typical liquid propellants(ADN-based HAN-based and nitromethane),the critical impact energy and critical friction of three propella... In order to study the variation of temperature to mechanical stimulation threshold of typical liquid propellants(ADN-based HAN-based and nitromethane),the critical impact energy and critical friction of three propellants under different temperatures were studied by using BAM fall hammer impact sensitivity tester and BAM friction sensitivity tester.Experiments show that under 80℃,60℃,40℃and 20℃,the critical impact energy of HAN-based are 20 J,15 J,15 J,15 J;the critical impact energy of nitromethane are 2 J,2 J,2 J,2 J;and the critical impact energy of ADN-based are<1 J,3 J,7.5 J,15 J.It reveals that HAN-based propellant has the highest critical impact energy,while nitromethane propellant has the lowest critical impact energy.ADN-based propellant has a notable decrease on its critical impact energy with temperature decreasing,indicating that temperature has a significant effect on impact sensitivity of ADN-based propellant.The critical friction of three samples are all higher than 360 N at 80℃,60℃,40℃and 20℃,which shows that the samples are not sensitive to friction,and temperature has no significant effect on the critical friction of three samples.The mechanical stimulations that may be encountered during the production and use of liquid propellants are analyzed,which takes certain working conditions and the temperature coupling effect into consideration,thereby providing support for safety management of liquid propellants during production and storage process. 展开更多
关键词 liquid propellant hydroxylamine nitrate(HAN-based) NITROMETHANE ammonium dinitramide(ADN-based) impact sensitivity friction sensitivity TEMPERATURE
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MODIFICATION OF X-5 RESIN AND ADSORPTION PROPERTY OF THE MODIFIED RESINS
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作者 HUANG Jiangou XUMancai +2 位作者 LI Haitao SHI Zuoqing HE Binglin 《Chinese Journal of Reactive Polymers》 2002年第2期162-166,共5页
Three polymeric adsorbents with hydrogen bonding acceptors, methylamine, N-methyl-acetamide and aminotri(hydroxymethyl)methane modified resins are synthesized from chloromethylated X-5 resin. Adsorption isotherms of p... Three polymeric adsorbents with hydrogen bonding acceptors, methylamine, N-methyl-acetamide and aminotri(hydroxymethyl)methane modified resins are synthesized from chloromethylated X-5 resin. Adsorption isotherms of phenol and theophylline onto the three modified resins and the original X-5 resin from aqueous solution are measured. The results show that adsorption of compounds with hydrogen bonding donor onto methylamine and N-methylacetamide modified resins is enhanced as compared with that onto X-5 resin, and adsorption mechanism between the adsorbents and the adsorbates is mainly based on hydrogen bonding and hydrophobic interaction. While adsorption of compounds with hydrogen bonding donor onto aminotri(hydroxymethyl)methane modified resin is lowered as compared with that onto X-5 resin, and adsorption mechanism between the adsorbent and the adsorbates is mainly based on hydrophobic interaction. 展开更多
关键词 METHYLAMINE N-METHYLACETAMIDE Aminotri(hydroxymethyl)methane X-5 resin MODIFICATION Adsorption Phenol THEOPHYLLINE Caffeine
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