Ion association in lithium metaborate solution: a Raman and ab initio insight

Ion association and hydration clusters in aqueous lithium borate solution are extremely important to understand some extraordinary properties of lithium borates. In the present work, polyborate distribution in aqueous LiBO₂ solution was investigated through Raman and thermodynamics equilibrium analysis. Geometry and stability of hydrated clusters LiB(OH)₄(H₂O)_n up to n = 8 were calculated at the B3LYP/aug-cc-pVDZ level. Three different types of ion association, namely, contact ion pairs (CIP), solvent-shared ion pairs (SIP) and solvent separated ion pairs (SSIP) were obtained; characteristics of all of these stable configurations were determined, and the most stable hydrated clusters were chosen. Then the mechanisms of ion aggregation and crystal nuclei formation in the LiB(OH)₄ solution were proposed. The tight four-hydrated sphere of Li⁺ makes it difficult for the dehydrated form of its first hydration sphere to from a CIP, which is the passible reason that lithium borate always has a large super-saturation degree.     

A novel colorimetric chemosensor based on quinoline for the sequential detection of Fe3+ and PPi in aqueous solution

A novel quinoline-functionalized Schiff-base derivative PY was designed and synthesized. Sensor PY displayed highly selective and sensitive fluorescence enhancement and naked-eye color change to Fe³⁺ in the presence of other competing cations. The mechanisms have been supported by Job’s plot evaluation, FT-MS and theoretical calculations. The in situ generated PY-Fe³⁺ complex solution exhibited a high selectivity toward PPi via Fe³⁺ displacement approach. The detection limits of sensor PY to Fe³⁺ and PY-Fe³⁺ complex to PPi were estimated to be 4.24 × 10^?8 M and 8.18 × 10^?8 M, respectively. This successive recognition feature of sensor PY makes it has a potential utility for Fe³⁺ and PPi detection in aqueous solution. A B3LYP/6-31G(d,p) basis set was employed for optimization of PY and PY-Fe³⁺ complex.     

ZnCl_2溶液中微波辅助SnCl_4催化纤维素制备5-HMF

将纤维素溶解在ZnCl_2溶液中,以SnCl_4为催化剂,微波下使纤维素降解成5-羟甲基糠醛(5-HMF)。实验考察了微波功率、纤维素的质量、ZnCl_2溶液浓度、反应时间及催化剂与纤维素物质的量比等对5-HMF产率的影响。结果表明,以SnCl_4为催化剂,在优化条件:1.0 g纤维素溶解在100 m L 70%ZnCl_2溶液中,微波功率为420 W,降解反应9 min,SnCl_4与纤维素物质的量比2∶1下,5-HMF的产率达到39.4%。     

Mg/Al物质的量比对Ce-La/MgAl2O4-x催化剂催化CO还原NO性能的影响

采用初始浸渍法制备了不同Mg/Al物质的量比的Ce-La/MgAl₂O₄-x催化剂,并通过低温N₂-吸附脱附、XRD、H₂-TPR和CO-TPR等手段对其进行了表征。结果表明,在Mg/Al物质的量比为0.5时,催化剂催化CO还原NO的性能最好。这主要是因为适量Mg的添加促进了CeO₂的分散和Ce-O-La固溶体的形成,从而使得表面Ce³⁺和氧空穴增加。两者的协同作用使得Ce-La/MgAl₂O₄-0.5表现出最佳的催化性能。另外,适量Mg的引入可以抑制Ce（SO₄）₂和Ce₂（SO₄）₃的形成,从而提高了Ce-La/MgAl₂O₄-0.5催化剂抗硫中毒能力。     

甲醇制氢铜铝尖晶石缓释催化剂的研究—不同铜源合成的影响

以拟薄水铝石为铝源,氢氧化铜、乙酸铜和硝酸铜等为铜源,采用固相法合成Cu-Al尖晶石催化剂。采用TG-MS、XRD、H2-TPR、BET和XANES等表征技术,对合成过程、产物的物相、还原性质及表层结构进行研究,并考察了甲醇重整制氢的缓释催化性能。结果表明,三种铜源都得到尖晶石固溶体,其晶粒粒径相差不大,但其比表面积(25.4-65.9 m2/g)、孔容(0.213-0.434 cm3/g)、表面结构(Cu的分布)以及还原性能有明显的差别,从而导致不同的缓释催化行为。在甲醇重整反应过程中,铜铝缓释催化剂通过反应条件下还原释放活性铜物种而起催化作用。以氢氧化铜合成的催化剂活性高,反应稳定性好,反应后生成的Cu粒子最小(6.6 nm),其表现出优异的催化性能。     

热溶液中Nafion膜电极电化学分析法测定偶氮二甲酰胺

基于偶氮二甲酰胺在热溶液中的高溶解度及其与Nafion膜电极的静电作用,建立了偶氮二甲酰胺的电化学分析法.考察了偶氮二甲酰胺溶解度的温度效应,研究了偶氮二甲酰胺在Nafion膜电极上还原反应的机理.利用热溶液中偶氮二甲酰胺在Nafion膜电极上的伏安响应,用差分脉冲伏安法测定了面粉中的偶氮二甲酰胺含量.在水浴恒温80℃、pH 6.0的实验条件和优化的测试参数下,Nafion膜电极的电流响应与偶氮二甲酰胺的浓度在0.93～ 10.5 μg/L范围内呈线性关系,检出限为0.58 μg/L(S/N=3),对实际样品测定的相对标准偏差小于5.9％,回收率为95.8％ ～ 104.0％,氨基脲和呋喃西林不干扰偶氮二甲酰胺的测定.     

考虑二次梯度项及动边界的双重介质低渗透油藏流动分析

在传统试井模型的非线性偏微分方程中根据弱可压缩流体的假设,忽略了二次梯度项,对于低渗透油藏这种方法是有疑问的.低渗透问题一个显著的特点就是流体的流动边界随着时间不断向外扩展.为了更好地研究双重介质低渗透油藏中流体的流动问题,考虑了二次梯度项及活动边界的影响,同时考虑了低渗透油藏的非达西渗流特征,建立了双重介质低渗透油藏流动模型.采用Douglas-Jones预估-校正差分方法获得了无限大地层定产量生产时模型的数值解,分别讨论了不同参数变化时压力的变化规律及活动边界随时间的传播规律,还分析了考虑和忽略二次梯度项影响时模型数值解之间的差异随时间的变化规律,做出了典型压力曲线图版,这些结果可用于实际试井分析.     

Structural modeling of beams on elastic foundations with elasticity couplings

A new simplified structural model and its governing equations for beams on elastic foundations with elastic coupling are proposed. This modeling system is simple but appropriate for the initial structural design of large-scale submerged floating-beam structures moored by tension legs spaced at uniform interval along the beam. The model is actually for beam on discrete elastic supports rather than on continuous elastic foundations. Therefore, the governing equations are based on finite difference calculus and solutions for beams on discrete elastic supports with elasticity coupling are also proposed. To clarify the applicability limit of the proposed model, the equivalence between a beam on discrete elastic supports and that on continuous elastic foundation is investigated by comparisons of characteristic solutions.     

Shear induced phase transitions in highly dilute aqueous detergent solutions

Aqueous solutions of some cationic detergents show rheopectic behaviour at very low concentrations. Rheological measurements and the electrical anisotropy of the streaming solutions indicate that the rheopectic behaviour of the solutions is due to a shear induced phase transition.     

Sharp Estimates of Bounded Solutions to Some Second-order Forced Dissipative Equations

Résumé A l’aide d’inégalités différentielles, on établit une estimation proche de l’optimalité pour la norme dans de l’unique solution bornée de u′′ + cu′ + Au = f(t) lorsque A = A ^* ≥ λ I est un opérateur borné ou non sur un espace de Hilbert réel H, V = D(A ^1/2) et λ, c sont des constantes positives, tandis que . By using differential inequalities, a close-to-optimal bound of the unique bounded solution of u′′ + cu′ + Au = f(t) is obtained whenever A = A ^* ≥ λ I is a bounded or unbounded linear operator on a real Hilbert space H, V = D(A ^1/2) and λ, c are positive constants, while .

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