水高温高密度状态方程理论研究

 采用MCR方法计算由exp-6势描述的水分子作用体系的pVT状态方程。与MD数值模拟结果比较后发现，由于水分子间强烈的吸引作用有利于分子有序化过程的发生，在较高温度（2 000~4 000 K）条件下，水分子作用体系仍呈现出固态特征。该物相区内体系的热力学性质不能用MCR理论描述但MCR理论准确预言了水分子作用体系高温液相区pVT状态方程。     

An effective computer modelling approach to the study of aeroelastic characteristics of an aircraft composite wing with high aspect ratio

Static aeroelastic and flutter characteristics of an aircraft composite wing with high aspect ratio were analysed by an effective Computational Fluid Dynamics and Computational Structure Dynamics coupled method. Effects of stiffness distribution on aeroelastic characteristics were considered. Honeycomb core sandwich composite was considered to be equivalent to an orthotropic material by stiffness and inertance equivalent method to allow highly efficient numerical simulation, which was used for analysis of bending and torsional stiffness distribution. The results showed that the redistributed aerodynamic load leads to a decrease of pressure difference between the upper and lower airfoils. The flutter speed of the composite wing is near 0.64 Ma. Both bending and torsional stiffness increases with a small increase of beam size. Stiffness of the wing root has a major influence generally on the static aeroelastic characteristics. Both the lift coefficient and the loss percent decrease with a small increase of beam size. Effects of stiffness distribution on frequency are not obvious. Flutter speed remains close to the initial value when the beam size is changed.     

Redox-induced Ru(bpy)(3)(2+)-methylviologen radical formation and its dimerization in cucurbit[8]uril

A redox-induced radical Ru(bpy)(3)(2+)-(CH(2))(n)-MV(+)˙ (n = 4, 7) and its dimerization in cucurbit[8]uril (CB[8]) have been observed concomitantly in aqueous solution, which depends heavily on the length of the carbon chain linkage, in the case of n = 4, the characteristic pattern for the radical dimer is predominating, while that for the radical becomes dominated for n = 7.     

水促进的氯化钌催化α-蒎烯加氢反应

考察了水促进的RuCl3催化α-蒎烯加氢反应.结果表明,同传统催化剂或无水RuCl3相比,水对α-蒎烯加氢反应具有明显的促进作用,可显著提高蒎烷选择性及产物中蒎烷顺反比,且容易实现产物的分离及催化剂的循环使用.在RuCl3·3H2O用量1.8mg,α-蒎烯2.5g,m(H2O):m(a-蒎烯)=4:1下,160℃,5M...     

An integral function and vector sequence method for unconstrained global optimization

This paper studies the relationship between the so-called bi-quadratic optimization problem and its semidefinite programming (SDP) relaxation. It is shown that each r-bound approximation solution of the relaxed bi-linear SDP can be used to generate in randomized polynomial time an O(r){\mathcal{O}(r)}-approximation solution of the original bi-quadratic optimization problem, where the constant in O(r){\mathcal{O}(r)} does not involve the dimension of variables and the data of problems. For special cases of maximization model, we provide an approximation algorithm for the considered problems.