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Exponential convergence to equilibrium via Lyapounov functionals for reaction-diffusion equations arising from non reversible chemical kinetics

Marzia Bisi, Laurent Desvillettes, Giampiero Spiga (2008)

ESAIM: Mathematical Modelling and Numerical Analysis


We show that the entropy method, that has been used successfully in order to prove exponential convergence towards equilibrium with explicit constants in many contexts, among which reaction-diffusion systems coming out of reversible chemistry, can also be used when one considers a reaction-diffusion system corresponding to an irreversible mechanism of dissociation/recombination, for which no natural entropy is available.


Extremal Matching Energy of Complements of Trees

Tingzeng Wu, Weigen Yan, Heping Zhang (2016)

Discussiones Mathematicae Graph Theory

Gutman and Wagner proposed the concept of the matching energy which is defined as the sum of the absolute values of the zeros of the matching polynomial of a graph. And they pointed out that the chemical applications of matching energy go back to the 1970s. Let T be a tree with n vertices. In this paper, we characterize the trees whose complements have the maximal, second-maximal and minimal matching energy. Furthermore, we determine the trees with edge-independence number p whose complements have...

Fluid-dynamic equations for reacting gas mixtures

Marzia Bisi, Maria Groppi, Giampiero Spiga (2005)

Applications of Mathematics

Starting from the Grad 13-moment equations for a bimolecular chemical reaction, Navier-Stokes-type equations are derived by asymptotic procedure in the limit of small mean paths. Two physical situations of slow and fast reactions, with their different hydrodynamic variables and conservation equations, are considered separately, yielding different limiting results.

Isomerism as Manifestation of Intrinsic Symmetry of Molecules: Lunn–Senior’s Theory

Iliev, Valentin (2009)

Serdica Journal of Computing

This article presents the principal results of the doctoral thesis “Isomerism as internal symmetry of molecules” by Valentin Vankov Iliev (Institute of Mathematics and Informatics), successfully defended before the Specialised Academic Council for Informatics and Mathematical Modelling on 15 December, 2008.This paper is an extended review of our doctoral thesis “Isomerism as Intrinsic Symmetry of Molecules” in which we present, continue, generalize, and trace out Lunn–Senior’s theory of isomerism...

Kinetical systems

Ladislav Adamec (1997)

Applications of Mathematics

The aim of the paper is to give some preliminary information concerning a class of nonlinear differential equations often used in physical chemistry and biology. Such systems are often very large and it is well known that where studying properties of such systems difficulties rapidly increase with their dimension. One way how to get over the difficulties is to use special forms of such systems.

Nanonetworks: The graph theory framework for modeling nanoscale systems

Jelena Živkovic, Bosiljka Tadic (2013)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

Nanonetwork is defined as a mathematical model of nanosize objects with biological, physical and chemical attributes, which are interconnected within certain dynamical process. To demonstrate the potentials of this modeling approach for quantitative study of complexity at nanoscale, in this survey, we consider three kinds of nanonetworks: Genes of a yeast are connected by weighted links corresponding to their coexpression along the cell cycle; Gold nanoparticles, arranged on a substrate, are linked...

Nordhaus-Gaddum-Type Results for Resistance Distance-Based Graph Invariants

Kinkar Ch. Das, Yujun Yang, Kexiang Xu (2016)

Discussiones Mathematicae Graph Theory

Two decades ago, resistance distance was introduced to characterize “chemical distance” in (molecular) graphs. In this paper, we consider three resistance distance-based graph invariants, namely, the Kirchhoff index, the additive degree-Kirchhoff index, and the multiplicative degree-Kirchhoff index. Some Nordhaus-Gaddum-type results for these three molecular structure descriptors are obtained. In addition, a relation between these Kirchhoffian indices is established.

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