Iranian Journal of Mathematical ChemistryIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Tue, 17 Oct 2017 22:01:27 +0100FeedCreatorIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Feed provided by Iranian Journal of Mathematical Chemistry. Click to visit.Borderenergetic graphs of order 12
http://ijmc.kashanu.ac.ir/article_49788_2947.html
A graph G of order n is said to be borderenergetic if its energy is equal to 2n-2 and if G differs from the complete graph Kn. The first such graph was discovered in 2001, but their systematic study started only in 2015. Until now, the number of borderenergetic graphs of order n was determined for nThu, 30 Nov 2017 20:30:00 +0100A numerical study of fractional order reverse osmosis desalination model using Legendre wavelet ...
http://ijmc.kashanu.ac.ir/article_48032_2947.html
The purpose of this study is to develop a new approach in modeling and simulation of a reverse osmosis desalination system by using fractional differential equations. Using the Legendre wavelet method combined with the decoupling and quasi-linearization technique, we demonstrate the validity and applicability of our model. Examples are developed to illustrate the fractional differential technique and to highlight the broad applicability and the efficiency of this method. The fractional derivative is described in the Caputo sense.Thu, 30 Nov 2017 20:30:00 +0100Solving time-fractional chemical engineering equations by modified variational iteration method ...
http://ijmc.kashanu.ac.ir/article_45351_2947.html
The variational iteration method(VIM) was extended to find approximate solutions of fractional chemical engineering equations. The Lagrange multipliers of the VIM were not identified explicitly. In this paper we improve the VIM by using concept of fixed point iteration method. Then this method was implemented for solving system of the time fractional chemical engineering equations. The obtained approximate solutions are compared with the numerical results in the literature to show the applicability, efficiency and accuracy of the method.Thu, 30 Nov 2017 20:30:00 +0100An application of geometrical isometries in non-planar molecules
http://ijmc.kashanu.ac.ir/article_45090_0.html
In this paper we introduce a novel methodology to transmit the origin to the center of a polygon in a molecule structure such that the special axis be perpendicular to the plane containing the polygon. The mathematical calculation are described completely and the algorithm will be showed as a computer program.Tue, 18 Apr 2017 19:30:00 +0100The ratio and product of the multiplicative Zagreb indices
http://ijmc.kashanu.ac.ir/article_45116_2947.html
‎The first multiplicative Zagreb index $Pi_1(G)$ is equal to the‎ ‎product of squares of the degree of the vertices and the second‎ ‎multiplicative Zagreb index $Pi_2(G)$ is equal to the product of‎ ‎the products of the degree of pairs of adjacent vertices of the‎ ‎underlying molecular graphs $G$‎. ‎Also‎, ‎the multiplicative sum Zagreb index $Pi_3(G)$ is equal to the product of‎ ‎the sums of the degree of pairs of adjacent vertices of $G$‎. ‎In‎ ‎this paper‎, ‎we introduce a new version of the multiplicative sum‎ ‎Zagreb index and study the moments of the ratio and product of ‎all above‎ indices in a randomly chosen molecular graph with tree structure of order $n$. ‏Also, a ‎supermartingale is introduced by ‎‎Doob's supermartingale‎ ‎inequality.Thu, 30 Nov 2017 20:30:00 +0100Extermal trees with respect to some versions of Zagreb indices via majorization
http://ijmc.kashanu.ac.ir/article_48642_2947.html
The aim of this paper is using the majorization technique to identify the classes of trees with extermal (minimal or maximal) value of some topological indices, among all trees of order n ≥ 12Thu, 30 Nov 2017 20:30:00 +0100The uniqueness theorem for inverse nodal problems with a chemical potential
http://ijmc.kashanu.ac.ir/article_39228_2947.html
In this paper, an inverse nodal problem for a second-order differential equation having a chemical potential on a finite interval is investigated. First, we estimate the nodal points and nodal lengths of differential operator. Then, we show that the potential can be uniquely determined by a dense set of nodes of the eigenfunctions.Thu, 30 Nov 2017 20:30:00 +0100Numerical modeling for nonlinear biochemical reaction networks
http://ijmc.kashanu.ac.ir/article_50016_2947.html
Nowadays, numerical models have great importance in every field of science, especially for solving the nonlinear differential equations, partial differential equations, biochemical reactions, etc. The total time evolution of the reactant concentrations in the basic enzyme-substrate reaction is simulated by the Runge-Kutta of order four (RK4) and by nonstandard finite difference (NSFD) method. A NSFD model has been constructed for the biochemical reaction problem and numerical experiments are performed for different values of discretization parameter ‘h’. The results are compared with the well-known numerical scheme, i.e. RK4. Unlike RK4 which fails for large time steps, the developed scheme gives results that converge to true steady states for any time step used.Thu, 30 Nov 2017 20:30:00 +0100Trees with the greatest Wiener and edge-Wiener index
http://ijmc.kashanu.ac.ir/article_48335_0.html
The Wiener index W and the edge-Wiener index W_e of G are defined as the sum of distances between all pairs of vertices in G and the sum of distances between all pairs of edges in G, respectively. In this paper, we identify the four trees, with the first through fourth greatest Wiener and edge-Wiener index among all trees of order n ≥ 10.Tue, 11 Jul 2017 19:30:00 +0100Numerical solution of gas solution in a fluid: fractional derivative model
http://ijmc.kashanu.ac.ir/article_50034_2947.html
‎A computational technique for solution of mathematical model of gas solution in a fluid is presented‎. ‎This model describes the change of mass of the gas volume due to diffusion through the contact surface‎. ‎An appropriate representation of the solution based on the M"{u}ntz polynomials reduces its numerical treatment to the solution of a linear system of algebraic equations‎. ‎Numerical examples are given and discussed to illustrate the effectiveness of the proposed approach‎.Thu, 30 Nov 2017 20:30:00 +0100