An investigation of paddle wheel Cu2(μ2-O2CCH3)4 for gas molecule adsorptions

Metal organic frameworks (MOFs) have been well-known and extensively researched due to the high storage /good selectivity for gas molecules. Herein, the structures and electron paramagnetic resonance (EPR) spectra for dicopper paddle wheel MOF compound (Cu₂(µ₂-O₂CCH₃)₄ with various gas molecule are theoretically investigated by density functional theory (DFT) calculations. The adsorption energies and isotherms (including pure gas molecules and the mixed ones) are calculated for the gas molecules interacting with the unsaturated Cu₂(µ₂-O₂CCH₃)₄. Both quantities exhibit the roughly consistent orders (e.g. H₂S?>?NH₃?>?CO₂?>?CO?>?H₂O?>?N₂?>?NO?>?H₂ for isotherms and H₂S?>?NH₃?>?N₂?>?CO₂?>?NO?>?H₂O?>?H₂?>?CO for adsorption energies), possibly suggesting that this material may act as a potential adsorbent of these gas molecules. The catalytic property of Cu₂(µ₂-O₂CCH₃)₄ for oxidation of CO and NO into non-toxic molecules and splitting of H₂O into H₂ and O₂ in the solvent condition are uniformly discussed. Simulation of Grand Canonical Monte Carlo (GCMC) in MS 8.0 and calculations in Langmuir model reveal that Cu₂(µ₂-O₂CCH₃)₄ has good selectivity for CH₄ in natural gas (CH₄/CO₂/N₂) and SO₂ in fog (SO₂/NO/NO₂/H₂O/O₂), which would exhibit potential environmentally friendly applications.     

The Roper resonance in a finite volume

We calculate the energy levels corresponding to the Roper resonance based on a two-flavor chiral effective Lagrangian for pions, nucleons, deltas, and the Roper resonance at the leading one-loop order. We show that the Roper mass can be extracted from these levels for lattice volumes of moderate size.     

小孔流速实验中的排水时间和流量系数的研究

本文以水作为理想流体,考虑到水头损失和孔口缩流效应,对小孔流速实验涉及的容器排水问题进行了系统的理论和实验研究.从理论上推导得出了圆柱形容器排水时间的解析解,分析了排水时间和自由液面速度、流量系数之间的规律,提出了排水时间的等效性.实验上,加工了底部开有不同小孔的大型圆柱形容器,测量了容器排水时间随液面高度的变化关系,借助实验结果计算了流量系数值,验证了容器排水时间的等效性关系,实验结果与理论计算符合较好.     

钡准分子共振电离光谱及离化机制研究

本文报道用激光共振电离法获得一个新的钡准分子结构.在染料激光波长扫描范围内观察到钡原子双光子共振跃迁、双光子混合跃迁和钡准分子谱带.我们提出一种用热离子二极管信号特性分析原子和分子里德伯态的离化机制的方法,并以此对钡原子和钡分子的离化通道进行讨论.     

NO的多光子电离谱及跃迁通道的研究

本文对中间共振能级为A~2∑~+、F~2⊿、H~2∑和H’~3H态的NO四光子电离谱作了转动谱线标识及研究.提出了双共振及碰撞电离模型,以解释实验中出现的强度反常谱线.     

A method for imaging of chemical shift or magnetic field distributions

A phase encoding method for imaging of chemical shift or magnetic field distributions is described. The method utilizes the spin-echo principle and the time period between signal collection and excitation is constant but the time period between excitation and the 180 degrees pulse is varied by constant steps. The method is relatively easy to apply with the Fourier or projection reconstruction methods.     

骨断裂力学概述

本文涉及近年来骨断裂力学的发展成果.对建立在张开型和剪切型断裂能基础上的方法作了回顾,并讨论了密度、试件厚度和裂纹速度对骨断裂的影响.最后简述了人股骨的试验研究.      

Constitutive theories for nonlocal micropolar continua with implicity and with multiple interactions

In this paper the constitutive theory for nonlocal micropolar continua which was proposed by A. C. Eringen is extended to the cases for nonlocal micropolar continua with implicity and with multiple interactions. Here nonlocal micropolar thermoelastic solids with implicity and with multiple interactions are cited as instances to illustrate the procedure for the establishment of their constitutive theories as well as two relevant theorems concerning the constitutive theories for those solids are given.     

Formulae of force at a point in the interior of a half space with shear modulus linearly varied with depth

According to a lemma and an assumption, this paper prexenis formulae of force at a point in the interior of a half space with Poisson’s ratio v = constant and shear modulus G linearly varied with depth. These formulae can be used as an approximate basic solution when the integral equation method is employed for the analysis of piles and other geotechnical engineering problems.     

The method of matrices conjoint multiplication for the problem of circular arc corrugated diaphragm

The circular are corrugated diaphragins are taken in this paper and structures of several sections of the ring shells and a central cireular plale I matrices and link matrices are derived by using Prof. Chuen Hei-zang’s general the ring shell[1] and perturbation theory of the circular thin plates. Throngh the meined of matrices conjoint multiplication, the linear exact solution and nonlinear soluaen are obtained. The resutts agree with that of the experiments presented by W. A. Wildhack..