多项式偏最小二乘法对非线性体系红外谱图的分析

文章利用了一种非线性模型多项式偏最小二乘法(PPLS),结合傅里叶变换红外光谱遥感技术,对大气中的五组分混合体系进行了同时分析。并与偏最小二乘法(PLS)得到的结果进行了比较,PPLS显示出较好的处理非线性数据的能力。尤其是对混合物中的苯和氯仿的预测,均方根预测误差(RMSEP)分别是0.043和0.087,用PLS预测相应的RMSEP为0.402和0.842。PPLS的这一预测精度,可以满足遥感傅里叶变换红外光谱对大气中有毒气体的实时、在线监测的需要。同时PPLS可以用较少的潜变量对变量进行解释,显示出PPLS模型的稳健性和简单化。     

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。     

红黑排序混合算法收敛速度分析

The algorithm of applying the block Gauss elimination to the Red-Black or-dering matrix to reduce the order of the system then solve the reduced system byiterative methods is called Hybrid Red-Black Ordering algorithm.In this paper,we discuss the convergence rate of the hybrid methods combined with JACOBI,CG,GMRES(m).Theoretical analysis shows that without preconditioner thesethree hybrid methods converge about 2 times as fast as the corresponding natural ordering methods.For the case that all the eigenvalues is near the real axis, the GMRES(m) algorithm converges about 3 times faster than the natural ordering GMRES(m).Various numerical experiments are presented.For large scale prob-lem with preconditioners, numerical experiments show that the GMRES(m) hybrid methods converge from about 3 times to even 5 times as fast as the natural order-ing methods and the computing time is reduced to about 1/3 even 1/6 of that of the natural ordering methods.     

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.     

A high-order finite volume method for systems of conservation laws—Multi-dimensional Optimal Order Detection (MOOD)

In this paper, we investigate an original way to deal with the problems generated by the limitation process of high-order finite volume methods based on polynomial reconstructions. Multi-dimensional Optimal Order Detection (MOOD) breaks away from classical limitations employed in high-order methods. The proposed method consists of detecting problematic situations after each time update of the solution and of reducing the local polynomial degree before recomputing the solution. As multi-dimensional MUSCL methods, the concept is simple and independent of mesh structure. Moreover MOOD is able to take physical constraints such as density and pressure positivity into account through an “a posteriori” detection. Numerical results on classical and demanding test cases for advection and Euler system are presented on quadrangular meshes to support the promising potential of this approach.     

On a problem of Byrnes concerning polynomials with restricted coefficients, II

As in the earlier paper with this title, we consider a question of Byrnes concerning the minimal length of a polynomial with all coefficients in which has a zero of a given order at . In that paper we showed that for all and showed that the extremal polynomials for were those conjectured by Byrnes, but for that rather than . A polynomial with was exhibited for , but it was not shown there that this extremal was unique. Here we show that the extremal is unique. In the previous paper, we showed that is one of the 7 values or . Here we prove that without determining all extremal polynomials. We also make some progress toward determining . As in the previous paper, we use a combination of number theoretic ideas and combinatorial computation. The main point is that if is a primitive th root of unity where is a prime, then the condition that all coefficients of be in , together with the requirement that be divisible by puts severe restrictions on the possible values for the cyclotomic integer .