1-丁基-3-甲基咪唑硫酸氢盐离子液体与含氮化合物相互作用的理论研究

采用密度泛函理论方法研究了1-丁基-3-甲基咪唑硫酸氢盐离子液体[Bmim]HSO_4与氮化物喹啉和吲哚分子的相互作用,并进行了NBO和AIM分析。[Bmim]HSO_4离子对最稳定结构表明,[HSO_4]~-阴离子中的氧原子与咪唑环中正电性较大的C14-H20之间有较强的氢键作用。在分子水平上,NBO和AIM分析证实了喹啉和吲哚分子与[Bmim]HSO_4的阴离子之间有较强的相互作用,其中,喹啉分子中的氮原子与阴离子[HSO_4]~-中氢原子之间的作用以及吲哚分子中N-H的氢原子与[HSO_4]~-中氧原子之间的作用是该离子液体能够有效脱除氮化物的主要动力。     

Some results on numerical divided difference formulas

The remainder estimates of numerical divided difference formula are given for the functions of lower and higher smoothness, respectively. Then several divided difference formulas with super-convergence are derived with their remainder expressions.     

Pointwise estimates for the maximal multilinear singular integral operators

Two pointwise estimates relating the maximal multilinear singular integral operators and some classical maximal operators are established. These pointwise estimates imply the rearrangement estimate and the BLO(Rn) estimate for the maximal multilinear singular integral operators.     

A Novel Single-beam Magneto-optical Atom Trap

1　Ｉｎｔｒｏｄｕｃｔｉｏｎ　　Ｓｉｎｃｅｔｈｅｍａｇｎｅｔｏｏｐｔｉｃａｌｔｒａｐ(ＭＯＴ)ｗａｓｆｉｒｓｔｐｒｏｐｏｓｅｄａｎｄｄｅｍｏｎｓｔｒａｔｅｄｂｙＲａａｂｅｔａｌ.[1],ｉｔｈａｓｂｅｃｏｍｅａｎｉｍｐｏｒｔａｎｔｔｅｃｈｎｉｑｕｅｆｏｒｐｒｅｐｒｅｐａｒｉｎｇａｃｏｌｄａｎｄｄｅｎｓｅａｔｏｍｉｃｓａｍｐｌｅａｎｄｈａｓｏｂｔａｉｎｅｄｗｉｄｅａｐｐｌｉｃａｔｉｏｎｓｉｎａｔｏｍｉｃｐｈｙｓｉｃｓ(ｉｎｃｌｕｄｉｎｇＢｏｓｅＥｉｎｓｔｅｉｎｃｏｎｄｅｎｓａｔｉｏｎｉｎａｔｏｍｉｃｇａｓ…     

Asymptotic Behaviors of the Solutions to Scalar Viscous Conservation Laws on Bounded Interval

Abstract This paper concerns the asymptotic behaviors of the solutions to the initial-boundary value prob-lem for scalar viscous conservations laws u_t+f(u)_x=u_(xx) on[0,1],with the boundary condition u(0,t) =u_,u(1,t)=u_+ and the initial data u(x,0)=u_0(x,0)=u_0(x),where u_≠u_+ and f is a given function satisfyingf'(u)>0 for u under consideration.By means of energy estimates method and under some more regular condi-tions on the initial data,both the global existence and the asymptotic behavior are obtained.When u_u_+, which corresponds to shock waves in inviscid conservation laws, it is established for weak shockwaves,which means that │u_-u_+│is small.Moreover,exponential decay rates are both given.     

SYNTHESIS OF A NOVEL CHELATING RESIN WITH HETEROCYCLIC RING OF S AND N

1.INTRODUCTIONThechelatingresinswithheterocyclicringofsulfur,oxygen,andnitrogenhaveexcellentadsorptionformetallicionsespeciallyfornoblemetallicions[1~3].Generally,theabove-mentionedresinsweresynthesizedbythereactionsofchloromethylatedpolystyrenewithheterocycliccompoundsinthepresenceofbase[3].Inthispaper,anewmethodforpreparingchelatingresincontaining2-amino-3-thiazoline(ATZ)wasreported.Thedetailedreactionscan2.EXPERIMENTAL2.1MaterialsEPSandBEPSweresynthesizedaccordingtothemethodde…     

VISCOSITY BEHAVIOR OF PS/TOLUENE SOLUTION IN DILUTE AND EXTREMELY DILUTE CONCENTRATION REGION

1.INTRODUCTIONAsearlyas1950sitwasfoundthatsolutionviscosityofasinglepolymerinextremelydiluteconcentrationregionusuallyrevealssomeabnormalities,i.e.,thereducedviscosityconcentration(hsp/c~c)curvesdeviatefromlinearrelationshippredictedasHugginsequationandshoweitheranupwardoradownwardturnasconcentrationisverylow[1].Evenifforthe[()-0.2()]identicalPMMA/toluenesolution,therearetwocontraryresults:onereportedthecurvebendsupward[2],whiletheotherfounditdownward[3].Inordertointerpretthisabnormalphe…     

Non-isothermal Decomposition Kinetics of Complexes[Sm（m-MBA）3 phen] 2 and [Sm（o-MOBA）3 phen]2 ·2H2O

Introduction In recent years,there has been considerable interest in complexes formed by lanthanide cations and various benzoate derivatives[1-4],due to their potential application in areas,such as extraction,separation, germicide preparation,catalysis,luminescence,and functional material preparation[5].As a continuation of the study on lanthanide carboxylate[6-13],samarium     

铈改性Ru/HAP催化果糖一步法制备2,5-呋喃二甲酸

采用浸渍法制备稀土元素铈（Ce）改性的Ru/HAP催化剂Ce-Ru/HAP，以实现果糖一步法制备2，5-呋喃二甲酸（2，5-FDCA）。采用XRD、TEM、NH₃-TPD和XPS表征手段对催化剂的理化性质进行分析。结果表明，Ce很好地高度分散到载体HAP上，且并未对HAP的结构造成影响；Ce主要以Ce³⁺和Ce⁴⁺形式存在，前者的存在使催化剂表面产生大量氧空穴，同时两者之间的电子转移有利于氧空穴形成，提高储氧能力，提高催化剂的表面催化活性；催化剂具有丰富的弱酸位，能够抑制反应过程中副反应的发生。优化反应条件后，催化剂Ce（8%，质量分数）-Ru/HAP在温度160℃和氧气压力2 MPa的反应条件下，反应4 h时2，5-呋喃二甲酸的产率为34.2%。因此，Ce的引入能够提高传统贵金属复合型催化剂的催化活性，同时也为果糖一步制备2，5-FDCA提供新思路。     

ICP-MS同时测定饮用水中的19种元素

以Li、Sc、Ge、In、Bi作内标,采用电感耦合等离子体-质谱法(ICP-MS)同时测定饮用水中Fe、Hg、As、Pb等19种元素.方法的线性范围宽,灵敏度高,线性相关系数均不低于0.9990,相对标准偏差均在7.1％之内,各元素的加标回收率均92.5％-108.0％.方法准确、快速、便捷,能为绵阳灾后重建水质安全提供有力保障.