Chemical kinetics on thermal decomposition of polystyrene was studied by integrating the non-isothermal differential and integral methods. For decomposition of polystyrene in environment with only nitrogen, a mass loss stage was found at 282.9C to 398.2C. The maximum mass-loss rate was at 372.4C. Kinetic analysis results indicated that it is a first-order chemical reaction. Thermal decompositio...

We investigate the relation between the symmetries of a Schrödinger operator and the related topological quantum numbers. We show that, under suitable assumptions on the symmetry algebra, a generalization of the Bloch-Floquet transform induces a direct integral decomposition of the algebra of observables. More relevantly, we prove that the generalized transform selects uniquely the set of conti...

This article is the first of a series of papers dealing with domain decomposition algorithms for implicit solvent models. We show that, in the framework of the COSMO model, with van der Waals molecular cavities and classical charge distributions, the electrostatic energy contribution to the solvation energy, usually computed by solving an integral equation on the whole surface of the molecular ...

The method ot atomic decomposition of Besov and Lizorkin-Triebel function spaces is combined with basic ideas from the theory of singular integral operators and applied to the study of fractional integral and diierential operators (FIDO), of which the Riesz potential is considered in detail as a model example. The main new results are: characterization of the Riesz potential by an innnite-dimen...

We extend the local exchange (LK) algorithm [Aquilante, F.; Pedersen, T. B.; Lindh, R. J. Chem. Phys.2007, 126, 194106] to the calculation of analytical gradients with density fitting. We discuss the features of the screening procedure and demonstrate the possible advantages of using this formulation, which is easily interfaced to a standard integral-direct gradient code. With auxiliary basis s...

A numerical algorithm, based on a decomposition technique, is presented for solving a class of nonlinear integral equations. The scheme is shown to be highly accurate, and only few terms are required to obtain accurate computable solutions. 1. Introduction. Adomian polynomial algorithm has been extensively used to solve linear and nonlinear problems arising in many interesting applications (see...

The subject of this thesis is the theory of nonholomorphic modular forms of non-integral weight, and its applications to arithmetical functions involving Dedekind sums and Kloosterman sums. As was discovered by Andre Weil, automorphic forms of non-integral weight correspond to invariant funtions on Metaplectic groups. We thus give an explicit description of Meptaplectic groups corresponding to ...

This study introduces and discusses a new class of integrals based on superdecompositions of integrated functions, including an analysis of their relationship with decomposition integrals, which were introduced recently by Even and Lehrer. The proposed superdecomposition integrals have several properties that are similar or dual with respect to decomposition integrals, but they also have some s...

A simple and precise incremental isoconversional integral method based on Li-Tang (LT) method is proposed for kinetic analysis of solid thermal decomposition, in order to evaluate the activation energy as a function of conversion degree. The new method overcomes the limitation of LT method in which the calculated activation energy is influenced by the lower limit of integration. By applying the...

In this paper we use the concept of wavelet sets as introduced by X. Dai and D. Larson, to decompose the wavelet representation of the discrete group associated to an arbitrary n×n integer dilation matrix as a direct integral of irreducible monomial representations. In so doing we generalize a result of F. Martin and A. Valette in which they show that the wavelet representation is weakly equiva...