The crystal and molecular structures of the title compounds were determined by X-ray diffraction technique from diffractometer intensity measurements. It has been found that two homologous disulfides, bis(dimethoxythiophosphoryl) disulfide 1 and bis(dineopentoxythiophosphoryl) disulfide 2 , form different molecular and crystal structures with space groups C2/c and P&1macr;, respectively. These results were confirmed by 31P CP MAS NMR studies, which showed that under favorable conditions the solid state NMR may lead to determination of the number of crystallographically unique phosphorus atoms. Moreover, the variation of the disulfide S–S bond length versus torsional P–S–S–P angles was observed. 相似文献
A redox-neutral Fe-catalyzed intramolecular C—H amidation of N-benzoyloxyureas is described.This methodology employs a simple iron complex in situ generated fro... 相似文献
Gas-solid fluidized beds have been widely used in heat transfer processes,and so there have been many studies focused on increasing heat transfer in such units.... 相似文献
Acta Mechanica Sinica - Multi-scale finite element method is adopted to simulate wood compression behavior under axial and transverse loading. Representative volume elements (RVE) of wood... 相似文献
Foaming effect strongly impacts the physical and mechanical properties of foam glass materials, but an understanding of its mechanism especially at the molecular level is still limited. In this study, the foaming effects of dextrin, a mixture of dextrin and carbon, and different carbon allotropes are investigated with respect to surface morphology as well as physical and mechanical properties, in which 1 wt.% carbon black is identified as an optimal choice for a well-balanced material property. More importantly, the different foaming effects are elucidated by all-atomistic molecular dynamics simulations with molecular-level insights into the structure–property relationships. The results show that smaller pores and more uniform pore structure benefit the mechanical properties of the foam glass samples. The foam glass samples show excellent chemical and thermal stability with 1 wt.% carbon as the foaming agent. Furthermore, the foaming effects of CaSO4 and Na2HPO4 are investigated, which both create more uniform pore structures. This work may inspire more systematic approaches to control foaming effect for customized engineering needs by establishing molecular-level structure–property–process relationships, thereby, leading to efficient production of foam glass materials with desired foaming effects. 相似文献
This paper presents the theory development and numerical implementation of a new gradient-deficient-based ANCF (Absolute Nodal Coordinate Formulation) model applied to perform the nonlinear dynamic analysis of elastic line structures subject to large stretching and deformation. The derivations of model equations, introduced numerical approaches, and result validations are the focuses of this study. Different from the traditional rod theory for small stretching consideration, the present model implements the line structures’ large elongation concepts into both the control mechanisms of constitutive formulations and equations of motion. The effect of external hydrodynamic forces on structures is also included in the model formulations. Based on the conservation of energy, the line model developed in this study covers the variation in strain and takes a full account of the bending effect with large stretching. A finite-element-based implicit scheme according to a modified Newmark-beta method is employed to solve the assembled system equations with unknown variables of nodal position vectors, their tangential derivatives, and strains. Selected cases with dynamic motions, such as nonlinear oscillation of a compound pendulum, free falling of a horizontal elastic beam in air with two different settings of gravity, free falling of a submerged horizontal tether with and without an attached concentrated mass, and a submerged vertical tether with a prescribed translational motion, are simulated to verify the developed model by comparing the results with analytical solutions and published experimental data and numerical results. It is found the present ANCF model, as noticed with good matched results with analytical solutions, measurements and other published solutions, is demonstrated to be able to provide converged and reasonably accurate predictions on the responses of line structures subject to large dynamic motions.