Density functional theory at the BP86 level was used to investigate the influence of equatorial ligands on the Ni–Ni interactions and magnetic coupling properties of metal string complexes [Ni3（L）4（NCS）2] （L rep...Density functional theory at the BP86 level was used to investigate the influence of equatorial ligands on the Ni–Ni interactions and magnetic coupling properties of metal string complexes [Ni3（L）4（NCS）2] （L represents the rigid equatorial ligands; L = dzp- （1）, mpmpa- （2）, mppda- （3）, mptpa- （4））. The following conclusions can be drawn. （1） With increasing the radius of the connecting atom in the cental ring in equatorial ligands, the two pyridine rings bend down, resulting in the decreasing distance between the two pyridine-nitrogen atoms and the Ni–Ni distance. Therefore, the strength order of the Ni–Ni interaction is 4 〉 2 〉 3 〉 1. The Ni–Ni interactions in 2 and 4 are stronger than those in Ni3（dpa）4（NCS）2 containing no-rigid equatorial ligands. （2） The calculated -Jab is 4 〉 2 〉 3 〉 1. There are two types of magnetic exchange pathways in these complexes： the σ-type pathway through the Ni36＋ chains and the δ-type pathway through the equatorial ligands. The magnetic coupling through the metals is the dominant part. Hence, the magnetic coupling strength increases with increasing the Ni–Ni interaction. Modifying the radius of the connecting atom may be one of the means to fine tuning of magnetic coupling strength of this kind of metal string complexes.展开更多
Under the consideration of harmonic fluctuations of initial tension and axially velocity, a nonlinear governing equation for transverse vibration of an axially accelerating string is set up by using the equation of mo...Under the consideration of harmonic fluctuations of initial tension and axially velocity, a nonlinear governing equation for transverse vibration of an axially accelerating string is set up by using the equation of motion for a 3-dimensional deformable body with initial stresses. The Kelvin model is used to describe viscoelastic behaviors of the material. The basis function of the complex-mode Galerkin method for axially accelerating nonlinear strings is constructed by using the modal function of linear moving strings with constant axially transport velocity. By the constructed basis functions, the application of the complex-mode Galerkin method in nonlinear vibration analysis of an axially accelerating viscoelastic string is investigated. Numerical results show that the convergence velocity of the complex-mode Galerkin method is higher than that of the real-mode Galerkin method for a variable coefficient gyroscopic system.展开更多
The transverse vibration of an axially moving string supported by a viscoelastic foundation is analysed using the complex modal method. The equation of motion is developed using the generalized Hamilton principle. The...The transverse vibration of an axially moving string supported by a viscoelastic foundation is analysed using the complex modal method. The equation of motion is developed using the generalized Hamilton principle. The exact closed-form solution of eigenvalues and eigen- functions are obtained. The governing equation is represented in a canonical state space form defined by two matrix differential operators, and the eigenfunctions and adjoint eigenfunctions are proved to be orthogonal with respect to each operator. This orthogonality is applied so that the response to arbitrary external excitations and initial conditions can be expressed in modal expansion. Numerical examples are presented to validate the proposed approach.展开更多
Based on the ligand（2,7-bis（α-pyrimidylamino）-1,8-naphthyridine（H2 bpmany））, a linear pentachromium complex [Cr5（μ5-bpmany）4Cl2]PF6（1, μ5-bpmany = 2,7-bis（a-pyrimidylamino）-1,8-naphthyridine） was synthe...Based on the ligand（2,7-bis（α-pyrimidylamino）-1,8-naphthyridine（H2 bpmany））, a linear pentachromium complex [Cr5（μ5-bpmany）4Cl2]PF6（1, μ5-bpmany = 2,7-bis（a-pyrimidylamino）-1,8-naphthyridine） was synthesized. The crystal structure of compound 1 has been characterized by X-ray crystallography. Interestingly, one metal atom in the center is missing in this linear chain, leading to the defective pentachromium metal string structure which is similar with the reported complex [Cr5（μ5-dpznda）4Cl2]（2, dpznda = N^2,N^7-di（pyrazin-2-yl）-1,8-naphthyridine-2,7-diamine）. The central Cr（Ⅲ） ion of 1 is eight-coordinated and is also rare in the chromium complex. The reaction of carbon dioxide with propylene oxide that generates propylene carbonate（PC） when catalyzed by [Cr5（μ5-bpmany）4Cl2]PF6 was investigated. Different reaction conditions including temperature and pressure were studied to optimize the reaction conditions.展开更多
为了研究复杂温压场下钻柱系统动力学特性,综合考虑了钻头-岩石相互作用,温度和压力对钻井液性能影响、温度对钻柱几何尺寸与特性影响以及钻柱系统所受轴向与扭转方向耦合振动,基于状态依赖时滞方法建立了4自由度直井钻柱系统动力学模型...为了研究复杂温压场下钻柱系统动力学特性,综合考虑了钻头-岩石相互作用,温度和压力对钻井液性能影响、温度对钻柱几何尺寸与特性影响以及钻柱系统所受轴向与扭转方向耦合振动,基于状态依赖时滞方法建立了4自由度直井钻柱系统动力学模型,分析了钻压(weight on bit,WOB)、驱动转速、钻井液密度以及地温梯度对系统动力学特性的影响。在此基础上,探究了WOB和驱动转速,钻井液密度和地温梯度对钻柱系统最小速度的影响规律。研究结果表明:增大钻压与钻井液密度会加剧钻柱系统振动程度,造成钻头黏滑振动;增加转速可以抑制黏滑振动;随着地温梯度的增加,会使钻头跳钻问题与黏滑振动更为严重;合理选择钻压与驱动转速能够避免黏滑振动,提高钻进效率;钻井液密度与地温梯度对钻柱系统的影响使得其最小速度呈现出一种非线性、无明显规律的特征,需要根据现场工况,结合模型进行参数优选。展开更多
基金supported by the Natural Science Foundation of Guangdong Province(S2012010008763)Ministry of Education and Guangdong Province(2010B090400184)Science and Technology Program of Guangzhou City(2011J4300063)
文摘Density functional theory at the BP86 level was used to investigate the influence of equatorial ligands on the Ni–Ni interactions and magnetic coupling properties of metal string complexes [Ni3（L）4（NCS）2] （L represents the rigid equatorial ligands; L = dzp- （1）, mpmpa- （2）, mppda- （3）, mptpa- （4））. The following conclusions can be drawn. （1） With increasing the radius of the connecting atom in the cental ring in equatorial ligands, the two pyridine rings bend down, resulting in the decreasing distance between the two pyridine-nitrogen atoms and the Ni–Ni distance. Therefore, the strength order of the Ni–Ni interaction is 4 〉 2 〉 3 〉 1. The Ni–Ni interactions in 2 and 4 are stronger than those in Ni3（dpa）4（NCS）2 containing no-rigid equatorial ligands. （2） The calculated -Jab is 4 〉 2 〉 3 〉 1. There are two types of magnetic exchange pathways in these complexes： the σ-type pathway through the Ni36＋ chains and the δ-type pathway through the equatorial ligands. The magnetic coupling through the metals is the dominant part. Hence, the magnetic coupling strength increases with increasing the Ni–Ni interaction. Modifying the radius of the connecting atom may be one of the means to fine tuning of magnetic coupling strength of this kind of metal string complexes.
基金Project supported by the National Natural Science Foundation of China (No. 10472060)Shanghai Leading Academic Discipline Project (No.Y0103)the Natural Science Foundation of Shanghai (No.04ZR14058)the Outstanding Youth Program of Shanghai Municipal Commission of Educatio(No.04YQHB088)
文摘Under the consideration of harmonic fluctuations of initial tension and axially velocity, a nonlinear governing equation for transverse vibration of an axially accelerating string is set up by using the equation of motion for a 3-dimensional deformable body with initial stresses. The Kelvin model is used to describe viscoelastic behaviors of the material. The basis function of the complex-mode Galerkin method for axially accelerating nonlinear strings is constructed by using the modal function of linear moving strings with constant axially transport velocity. By the constructed basis functions, the application of the complex-mode Galerkin method in nonlinear vibration analysis of an axially accelerating viscoelastic string is investigated. Numerical results show that the convergence velocity of the complex-mode Galerkin method is higher than that of the real-mode Galerkin method for a variable coefficient gyroscopic system.
基金Project supported by the State Key Program of National Natural Science of China(No.11232009)the National Natural Science Foundation of China(Nos.11372171 and 11422214)
文摘The transverse vibration of an axially moving string supported by a viscoelastic foundation is analysed using the complex modal method. The equation of motion is developed using the generalized Hamilton principle. The exact closed-form solution of eigenvalues and eigen- functions are obtained. The governing equation is represented in a canonical state space form defined by two matrix differential operators, and the eigenfunctions and adjoint eigenfunctions are proved to be orthogonal with respect to each operator. This orthogonality is applied so that the response to arbitrary external excitations and initial conditions can be expressed in modal expansion. Numerical examples are presented to validate the proposed approach.
基金supported by the Scientific Research Program Funded by Shaanxi Provincial Education Department(No.17JK0606)the Scientific Research Program Funded by Shaanxi Provincial Education Department(No.16JK1598)the Xi’an Shiyou University Postgraduate Innovation and Practical Ability Training Project(No.YCS16212073)
文摘Based on the ligand（2,7-bis（α-pyrimidylamino）-1,8-naphthyridine（H2 bpmany））, a linear pentachromium complex [Cr5（μ5-bpmany）4Cl2]PF6（1, μ5-bpmany = 2,7-bis（a-pyrimidylamino）-1,8-naphthyridine） was synthesized. The crystal structure of compound 1 has been characterized by X-ray crystallography. Interestingly, one metal atom in the center is missing in this linear chain, leading to the defective pentachromium metal string structure which is similar with the reported complex [Cr5（μ5-dpznda）4Cl2]（2, dpznda = N^2,N^7-di（pyrazin-2-yl）-1,8-naphthyridine-2,7-diamine）. The central Cr（Ⅲ） ion of 1 is eight-coordinated and is also rare in the chromium complex. The reaction of carbon dioxide with propylene oxide that generates propylene carbonate（PC） when catalyzed by [Cr5（μ5-bpmany）4Cl2]PF6 was investigated. Different reaction conditions including temperature and pressure were studied to optimize the reaction conditions.
文摘为了研究复杂温压场下钻柱系统动力学特性,综合考虑了钻头-岩石相互作用,温度和压力对钻井液性能影响、温度对钻柱几何尺寸与特性影响以及钻柱系统所受轴向与扭转方向耦合振动,基于状态依赖时滞方法建立了4自由度直井钻柱系统动力学模型,分析了钻压(weight on bit,WOB)、驱动转速、钻井液密度以及地温梯度对系统动力学特性的影响。在此基础上,探究了WOB和驱动转速,钻井液密度和地温梯度对钻柱系统最小速度的影响规律。研究结果表明:增大钻压与钻井液密度会加剧钻柱系统振动程度,造成钻头黏滑振动;增加转速可以抑制黏滑振动;随着地温梯度的增加,会使钻头跳钻问题与黏滑振动更为严重;合理选择钻压与驱动转速能够避免黏滑振动,提高钻进效率;钻井液密度与地温梯度对钻柱系统的影响使得其最小速度呈现出一种非线性、无明显规律的特征,需要根据现场工况,结合模型进行参数优选。
