乙酸-乙醇汽液平衡数据的测定与关联

用小型循环式汽液平衡釜测定了常压下乙酸-乙醇二元体系的汽液平衡数据,并用Willson 方程关联实验数据,利用Willson方程进行了汽液平衡数据计算,计算结果与实验值基本吻合.     

Variational Operators,Symplectic Operators,and the Cohomology of Scalar Evolution Equations

For a scalar evolution equation u_t = K(t, x, u, u_x, . . . , u_2m+1) with m ≥ 1, the cohomology space H^1,2() is shown to be isomorphic to the space of variational operators and an explicit isomorphism is given. The space of symplectic operators for u_t = K for which the equation is Hamiltonian is also shown to be isomorphic to the space H^1,2() and subsequently can be naturally identified with the space of variational operators. Third order scalar evolution equations admitting a first order symplectic (or variational) operator are characterized. The variational operator (or symplectic) nature of the potential form of a bi-Hamiltonian evolution equation is also presented in order to generate examples of interest.     

低温液体无损贮存压力升高的实验与计算

准确、简单地预测低温液体无损贮存时的压力升高具有重要的实用价值。对一低温容器利用液氮为介质进行了多次无损贮存实验,利用多元线性回归方法对实验数据进行分析和检验。分析表明无损贮存时间、初始充满率对压力升高的影响较大,而环境温度的影响可以忽略,并拟合出了压力升高的计算公式。计算结果和实验结果在很大范围内能够较好地吻合。该种计算方法在预测低温液体无损贮存压力升高时有较高的准确性与可靠性。     

MgSiO3状态方程的分子动力学模拟

The equation of state of MgSiO3 perovskite under high pressure and high temperature is simulated using the molecular dynamics method. It was found that the molecular dynamics simulation is very successful in accurately reproducing the measured molar volumes of MgSiO3 perovskite over a wide range of temperatures and pressures. The simulated equation of state of MgSiO3 perovskite matched experimental data at up to 140GPa at 300 K, as well as the fitting data of others and results from the first-principles simulation based on the local density approximation. The simulated equations of state of MgSiO3 perovskite at higher temperatures and higher pressures also correspond to the other calculations. In addition, the volume compression data of MgSiO3 perovskite is simulated up to 120 GPa at 300, 900, 2000 and 3000 K, respectively.     

Predicting ion selectivity in water purification by capacitive deionization: Electric double layer models

Ion-selective water treatment is needed to address emerging problems in an energy- and cost-efficient manner. Capacitive deionization (CDI) is a membraneless water treatment technology, which relies on storing ions in charged electric double layers (EDLs) of micropores. CDI has shown remarkable selectivity, with local density approximations (LDAs) showing some success in guiding selective separations. However, many underlying processes are represented by lumped fitting parameters in LDA models, hindering further progress. Atomistic models help unravel selectivity mechanisms, but are difficult to integrate with cell-level CDI theory. Here, we review and extend LDA models for CDI, highlight a knowledge gap in connecting between LDA and atomistic models for CDI, and emphasize and build upon analogies between micropore EDLs and nanofiltration membranes.     

解非定常不可压缩N-S方程的迭代压力Poisson方程法

１．引 言 数值求解不可压缩流体流动问题可以采用原始变量的方程作为控制方程,也可以用涡量一流函数方程作为控制方程．直接求解原始变量的不可压缩 Ｎａｖｉｅｒ—Ｓｔｏｋｅｓ方程存在一个主要困难：速度向量在每一时刻都必须满足零散度约束条件,即不可压缩性连续方程．用涡量一流函数方程求解时,连续方程自动满足,所以不存在约束条件的问题,但涡量的边界条件比较难处理,且不易应用于三维问题和带有自由表面或其它流体交界面的问题． 解决上述速度向量必须满足零散度约束条件的困难的方法有：人工压缩法［３,１７］;压力Ｐｏｉｓ…     

反应扩散方程的渐近吸引子

本文考虑了反应扩散方程的渐近吸引子，即构造了一个有限维解序列。首先利用数学归纳法证明了该解序列不会远离方程的整体吸引子，其次证明了它在长时间后无限趋于方程的整体吸引子，并且给出了渐近吸引子的维数估计。     

Finite Difference Method for Reaction-Diffusion Equation with Nonlocal Boundary Conditions

In this paper, we present a numerical approach to a class of nonlinear reaction-diffusion equations with nonlocal Robin type boundary conditions by finite difference methods. A second-order accurate difference scheme is derived by the method of reduction of order. Moreover, we prove that the scheme is uniquely solvable and convergent with the convergence rate of order two in a discrete L2-norm. A simple numerical example is given to illustrate the efficiency of the proposed method.