A new general algorithmic method in reaction syntheses using linear algebra

We discuss here a new general linear algebraic method (both model and algorithm) for describing and generating (among others) minimal reactions and also minimal mechanisms in stoichiometry, or dimensionless groups in physics as well. (Further applications in process network syntheses will be discussed in .) With some minor modifications of the input this method can be extended for several related questions: for generating direct and overall reactions, direct (steady state) mechanisms, for finding the possible resulting (overall) reactions among all possible mechanisms, etc.Computational results in section 4 show the speed of our algorithm.We give also mathematical background and results in sections 3, 5 and 6. However, we do not restrict ourselves to mathematics only, we also talk on the language of chemistry, too.The theoretical results in sections 3.2, 3.3, 5 and the computational examples in section 4 are completely new, further theoretical results will appear in and in .     

Numerical analysis of turbulent flow separation in a rectangular duct with a sharp 180‐degree turn by algebraic Reynolds stress model

Turbulent flow in a rectangular duct with a sharp 180‐degree turn is difficult to predict numerically because the flow behavior is influenced by several types of forces, including centrifugal force, pressure‐driven force, and shear stress generated by anisotropic turbulence. In particular, this type of flow is characterized by a large‐scale separated flow, and it is difficult to predict the reattachment point of a separated flow. Numerical analysis has been performed for a turbulent flow in a rectangular duct with a sharp 180‐degree turn using the algebraic Reynolds stress model. A boundary‐fitted coordinate system is introduced as a method for coordinate transformation to set the boundary conditions next to complicated shapes. The calculated results are compared with the experimental data, as measured by a laser‐Doppler anemometer, in order to examine the validity of the proposed numerical method and turbulent model. In addition, the possibility of improving the wall function method in the separated flow region is examined by replacing the log‐law velocity profile for a smooth wall with that for a rough wall. The analysis results indicated that the proposed algebraic Reynolds stress model can be used to reasonably predict the turbulent flow in a rectangular duct with a sharp 180‐degree turn. In particular, the calculated reattachment point of a separated flow, which is difficult to predict in a turbulent flow, agrees well with the experimental results. In addition, the calculation results suggest that the wall function method using the log‐law velocity profile for a rough wall over a separated flow region has some potential for improving the prediction accuracy. Copyright © 2007 John Wiley & Sons, Ltd.     

Local cyclic homology

Local (cyclic) homology of filtered associative algebras is defined and discussed. In the commutative case, it fits naturally in the setting of (formal) de Rham cohomology; we thus obtain a satisfactory complement to a result of Feigin and Tsygan. There is a spectral sequence from discrete (cyclic) homology of the associated graded algebra to local (cyclic) homology of the original filtered algebra; we exhibit manageable conditions on its convergence.     

A Robust Algorithm for Blind Total Variation Restoration

Image restoration is a fundamental problem in image processing. Blind image restoration has a great value in its practical application. However, it is not an easy problem to solve due to its complexity and difficulty. In this paper, we combine our robust algorithm for known blur operator with an alternating minimization implicit iterative scheme to deal with blind deconvolution problem, recover the image and identify the point spread function（PSF）. The only assumption needed is satisfy the practical physical sense. Numerical experiments demonstrate that this minimization algorithm is efficient and robust over a wide range of PSF and have almost the same results compared with known PSF algorithm.     

Perturbation method for determining the group of invariance of hierarchical models

We propose a perturbation method for determining the (largest) group of invariance of a toric ideal defined in [S. Aoki, A. Takemura, The largest group of invariance for Markov bases and toric ideals, J. Symbolic Comput. 43 (5) (2008) 342–358]. In the perturbation method, we investigate how a generic element in the row space of the configuration defining a toric ideal is mapped by a permutation of the indeterminates. Compared to the proof by Aoki and Takemura which was based on stabilizers of a subset of indeterminates, the perturbation method gives a much simpler proof of the group of invariance. In particular, we determine the group of invariance for a general hierarchical model of contingency tables in statistics, under the assumption that the numbers of the levels of the factors are generic. We prove that it is a wreath product indexed by a poset related to the intersection poset of the maximal interaction effects of the model.     

Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some electronic states of N_2 molecule

1 IntroductionAccurate results of high-lying vibrational energies and molecular dissociation energy De of diatomic electronic states are very important for thermodynamics, molecular spec- troscopy, reactive scatterings, and the collision physics of ultracold atoms. For example, the binding energy of the highest bound vibrational state to the ground vibrational state determines the s-wave scattering length. This in turn determines the low- energy (pre- dominantly s-wave) atomic elastic-scatteri…     

Semiring unions of a ring and a half-body

We describe the structure of semirings which are unions of a ring and a half-body.     

Iteration 2-theories

The axioms of iteration 2-theories capture, up to isomorphism, the equational properties of iteration in conjunction with horizontal and vertical composition in all algebraically complete categories. We give a concrete representation of the free iteration 2-theory generated by a 2-signature.     

Parameterization and algebraic structure of 3-band orthogonal wavelet systems

In this paper, a complete parameterization for the 3-band compact wavelet systems is presented. Using the parametric result, a program of the filterbank design is completed, which can give not only the filterbanks but also the graphs of all possible scaling functions and their corresponding wavelets. Especially some symmetric wavelets with small supports are given. Finally an algebraic structure for this kind of wavelet systems is characterized.