检索结果-南通市图书馆

Extractive desulfurization of model fuels with a nitrogen-containing heterocyclic ionic liquid

在线全文

学校读者我要写书评

暂无评论

Frontiers of Chemical Science and Engineering 2022年第12期16卷 1735-1742页

作者： Guojia Yu Dongyu Jin Xinyu Li Fan Zhang Shichao Tian yixin qu Zhiyong Zhou Zhongqi Ren College of Chemical Engineering Beijing University of Chemical TechnologyBeijing 100029China

A nitrogen-containing ionic liquid was synthesized using an aromatic nitrogen-containing heterocyclic and an amino acid,and applied to the extractive desulfurization process to remove benzothiophene,dibenzothiophene,and 4,6-dimethyldibenzothiphene from a model fuel *** characterizations and simulation using Gaussian 09 software confirmed the rationality of an ionic liquid *** of non-covalent interactions between the ionic liquid and the three sulfur-containing contaminants was studied by reduced density gradient *** viscosity of the ionic liquid was adjusted by addition of polyethylene *** extraction conditions of the volume of ionic liquid to oil as 1:1 and temperature as room temperature,the desulfurization selectivity of ionic liquid followed the order of 4,6-dimethyldibenzothiphene(15 min)

关键词： extractive desulfurization nitrogen-containing heterocyclic ionic liquid reduced density gradient analysis desulfurization selectivity

The adsorption properties of NaY zeolite for separation of ethylene glycol and 1,2-butanediol: Experiment and molecular modelling

在线全文

学校读者我要写书评

暂无评论

Green Energy & Environment 2021年第1期6卷 102-113页

作者： Pei Xiong Peng He yixin qu Liguo Wang Yan Cao Shuang Xu Jiaqiang Chen Muhammad Ammar Huiquan Li College of Chemical Engineering Beijing University of Chemical TechnologyBeijing100029China CAS Key Laboratory of Green Process and Engineering National Engineering Laboratory for Hydrometallurgical Cleaner Production TechnologyInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China Sino-Danish Colleg5 University of Chinese Academy of SciencesBeijing100049China Sino-Danish Center for Education and Research University of Chinese Academy of SciencesBeijing10049China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Dalian National Laboratory for Clean Energy Dalian116023China Department of Chemical Engineering Technology Government College UniversityFaisalabad 38000Pakistan

The separation of ethylene glycol(EG)and 1,2-butanediol(1,2-BDO)azeotrope in the synthesis process of EG via coal and biomass is becoming of increasing commercial and environmental *** adsorption is deemed as the most promising methods because of energy saving and environment *** this paper,NaY zeolite was used to separate 1,2-BDO from EG,and its adsorption properties was then *** isotherms of EG and 1,2-BDO in vapor and liquid phases from 298 to 328 K indicated that they fitted Langmuir model quite well,and the NaY zeolite absorbent favored EG more than 1,*** Grand Canonical Monte Carlo(GCMC)and molecular dynamics(MD)simulation techniques were conducted to investigate the competition adsorption and diffusion characteristics in different adsorption *** was observed that EG and 1,2-BDO molecules all have the most probable locations of the center of the 12-membered ring near the Na *** diffusivities of EG are lower than those of 1,2-BDO at the same adsorption *** last,the breakthrough curves of the binary mixture regressed from the empirical Dose–Response model in fixed-bed column showed that the adsorption selectivity of EG could reach to as high as 2.43,verified that the NaY zeolite could effectively separate EG from 1,*** work is also helpful for further separation of other dihydric alcohol mixtures from coal and biomass fermentation.

关键词： Adsorption mechanism Ethylene glycol(EG) 1,2-Butanediol(1,2-BDO) NaY zeolite Fixed-bed column tests

Reinforcement of Styrene-Butadiene Rubber with Silica Modified by Silane Coupling Agents: Experimental and Theoretical Chemistry Study

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Engineering 2006年第1期14卷 93-98页

作者：任慧屈一新赵素合 College of Chemical Engineering Beijing University of Chemical Technology Beijing 100029 China Wuhan Institute of Technology Hubei Key Lab of Novel Reactor & Green Chemical Technology Wuhan 430074 China College of Material Science and Engineering Beijing University of Chemical Technology Beijing 100029 China

The properties of styrene-butadiene rubber (SBR) reinforced by modified silica was investigated according to national standards. Silica was modified by silane coupling agents KH-570, KH-590, and KH-792. The optimized geome-tries of molecular modified silica reinforced SBR were obtained by using B3LYP calculation of density functional theory with the 6-31+G basis sets. The natural bond orbital analyses were carried out. The Si—O bond length of silica modified by KH-792 was the shortest and the electronegative of O was the highest. It indicated that the connection between silica and KH-792 was the tightest. Higher tensile strength and elongation of reinforced SBR was obtained by silica modified with the KH-792. It was caused by large delocalization of lone pair electrons of the two N atoms in KH-792. The S—C bond length in silica modified by KH-590 was longer than the ordinary S—C bond length. Then the sulfur free radical (·S·) was produced more easily in vulcanization. The degree of crosslink was increased by the cross-linkage of the rubber molecule and the sulfur free radical. That was why the highest stress and tear strength of reinforced SBR was produced when silane coupling agent KH-590 was used. The calculation results was in accord with experimental data.

关键词： silane coupling agent silica styrene-butadiene rubber

卟吩结构的HARTREE-FORCK和密度泛函研究比较

在线全文

学校读者我要写书评

暂无评论

计算机与应用化学 2006年第5期23卷 431-435页

作者：任慧屈一新北京化工大学化学工程学院北京100029 武汉化工学院湖北省新型反应器与绿色化学工艺重点实验室

采用传统的Hartree—Fock（HF）从头算和密度泛函中的B3LYP和B3PW91方法，选择了不同基组水平（STO-3G，3-21G和6-31G^＊）对卟吩结构进行了全几何优化，并对得到的结果相互进行了比较，同时与实验数据进行了对照。结果表明，对于H2P以... 详细信息

采用传统的Hartree—Fock（HF）从头算和密度泛函中的B3LYP和B3PW91方法，选择了不同基组水平（STO-3G，3-21G和6-31G^＊）对卟吩结构进行了全几何优化，并对得到的结果相互进行了比较，同时与实验数据进行了对照。结果表明，对于H2P以及具有类似结构的卟啉衍生物，传统的HF方法得到的几何构型以及相关性质（核磁共振谱，NMR）并不可靠。这种体系中电子相关能是不可忽略的。在B3LYP水平上选用较小的基组3-21G得到的结果与中等基组6-31G^＊差别不大。但是最小基组STO-3G得到的优化构型却是一个鞍点结构。

关键词：从头算密度泛函全几何优化吓吩

乙醇为溶剂超临界干燥法制备纳米Al_2O_3

在线全文

学校读者我要写书评

暂无评论

北京化工大学学报（自然科学版） 2008年第5期35卷 8-12页

作者：高希王际东屈一新李涛北京化工大学化学工程学院北京100029

以硝酸铝为原料,柠檬酸为分散剂,无水乙醇为溶剂,采用溶胶-凝胶结合超临界干燥的方法制备了纳米AlOOH。经过500～900℃焙烧后得到纳米-γAl2O3。考察了溶液pH值、硝酸铝与柠檬酸物质的量比对AlOOH粉体,以及焙烧温度对-γAl2O3两者形貌... 详细信息

以硝酸铝为原料,柠檬酸为分散剂,无水乙醇为溶剂,采用溶胶-凝胶结合超临界干燥的方法制备了纳米AlOOH。经过500～900℃焙烧后得到纳米-γAl2O3。考察了溶液pH值、硝酸铝与柠檬酸物质的量比对AlOOH粉体,以及焙烧温度对-γAl2O3两者形貌和尺寸的影响。采用TEM、XRD、IR对超细粒子的粒径、形貌进行了表征。结果表明,制备溶胶时的pH值和柠檬酸的加入对经超临界干燥所得的AlOOH的形貌和尺寸有明显影响。在pH=3,n（C6H8O7）∶n（Al（NO3）3）=1∶2的条件下可得到纤维状纳米AlOOH（直径为1～10 nm,长为30～40 nm）。该AlOOH经500～900℃焙烧后可得纤维状纳米-γAl2O3,其直径为1～10 nm,长为30～70 nm。

关键词：氧化铝柠檬酸溶胶-凝胶超临界干燥

杂芳基烷基醚、杂芳基卤化物与(氘代)醇的亲核醚化

在线全文

学校读者我要写书评

暂无评论

有机化学 2021年第2期41卷 795-805页

作者：王霞屈益欣龙城宇王雪强湖南大学化学化工学院分子科学与生物医学实验室(MBL)化学/生物传感与化学计量学国家重点实验室长沙410082

研究了在叔丁醇钾的作用下,杂芳基烷氧化合物、杂芳基卤化物和杂芳基硫醚与各种伯、仲、叔脂肪醇高效醚化,强调了天然产物和生物活性分子的衍生化以及不易通过其他途径获得的氘代芳基烷基醚的合成方法的实用性.

关键词：醚化杂芳基烷基醚芳香亲核取代

在线全文

学校读者我要写书评

暂无评论

硅烷偶联剂改性二氧化硅用于补强丁苯橡胶

硅酸盐学报 2006年第8期34卷 951-955页

作者：任慧屈一新赵素合高轶北京化工大学化学工程学院北京化工大学材料科学与工程学院北京100029

用不同的硅烷偶联剂改性二氧化硅用于补强丁苯橡胶,并考察了补强后橡胶的定伸应力、拉伸强度等常规物理机械性能。根据密度泛函理论,在B3LYP/6-31+G(d,p)水平上对偶联剂接枝的二氧化硅和接枝后与丁苯橡胶单元结构相的连接分别进行了几... 详细信息

用不同的硅烷偶联剂改性二氧化硅用于补强丁苯橡胶,并考察了补强后橡胶的定伸应力、拉伸强度等常规物理机械性能。根据密度泛函理论,在B3LYP/6-31+G(d,p)水平上对偶联剂接枝的二氧化硅和接枝后与丁苯橡胶单元结构相的连接分别进行了几何构型优化,并采用自然键轨道分析程序NBO3.1进行成键分析。结果表明:偶联剂KH-792与二氧化硅接枝形成的Si—O的键长最短,O的电负性最大,说明它与二氧化硅的键合最为紧密。KH-792中两个N原子的孤对电子有较大的离域化效应,使补强橡胶具有更高的拉伸强度和延展性。偶联剂KH-590接枝二氧化硅后另一端的有机基团S显示较大的S—C键长,有从偶联剂断裂的趋势,在反应过程容易释放出硫自由基(S·),与橡胶分子发生交联反应,提高了胶料的交联密度,大大加强了其定伸应力和撕裂强度。

关键词：二氧化硅硅烷偶联剂丁苯橡胶量子化学研究

共沸精馏法制备氧化铈纳米粉体及其煅烧动力学

在线全文

学校读者我要写书评

暂无评论

硅酸盐学报 2005年第9期33卷 1157-1162页

作者：高岚屈一新宋晓岚满艳茹北京化工大学北京100029 中南大学长沙410083 大庆石化公司黑龙江大庆163711

用碳酸氢铵做沉淀剂,采用化学共沉淀法制备纳米氧化铈的前驱体,并以正丁醇为共沸剂经过共沸精馏除去前驱体中的水分,然后再烘干、煅烧制备了纳米氧化铈晶体.通过热重和差热分析、X射线衍射和透射电镜等对颗粒结构进行表征,研究了晶体煅... 详细信息

用碳酸氢铵做沉淀剂,采用化学共沉淀法制备纳米氧化铈的前驱体,并以正丁醇为共沸剂经过共沸精馏除去前驱体中的水分,然后再烘干、煅烧制备了纳米氧化铈晶体.通过热重和差热分析、X射线衍射和透射电镜等对颗粒结构进行表征,研究了晶体煅烧动力学.结果表明:采用该方法能够很好地抑制粉体的团聚,获得分散均匀的立方晶系结构纳米晶体,粉体的平均粒径为20～30 nm.在煅烧过程中,该体系的表观活化能为68.43 kJ/mol,且晶粒的生长过程主要受扩散作用的控制.

关键词：纳米氧化铈共沸精馏煅烧动力学

Kinetic Study of Esterification of Lactic Acid with Isobutanol and n-Butanol Catalyzed by Ion-exchange Resins

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Engineering 2009年第5期17卷 773-780页

作者：屈一新彭少君王水张志强王际东 Beijing Key Laboratory of Bioprocess Department of Chemical Engineering Beijing University of Chemical Technology Beijing 100029 China

The esterification reactions of lactic acid with isobutanol and n-butanol have been studied in the presence of acid ion-exchange resin Weblyst D009. The influences of catalyst loading, stirrer speed, catalyst particle size, initial reactant molar ratio and temperature on the reaction rate have been examined. Experimental kinetic data were correlated by using the pseudo-homogeneous, Langnluir-Hinshelwood and Eley-Rideal models. Nonideality of the liquid phase was taken into account by using activities instead of molar fractions. The activity coefficients were calculated according to the group contribution method UNIFAC. Provided that the nonideality of the liquid is taken into account, the esterification kinetics of lactic acid with isobutanol and n-butanol catalyzed by the acid ion-exchange resin can be described using all threemodels with reasonable errors.

关键词： kinetics esterification lactic acid isobutanol n-butanol ion exchange resin