Iranian Journal of Mathematical ChemistryIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Fri, 27 Apr 2018 11:07:32 +0100FeedCreatorIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Feed provided by Iranian Journal of Mathematical Chemistry. Click to visit.An algebraic calculation method for describing time-dependent processes in electrochemistry – ...
http://ijmc.kashanu.ac.ir/article_60159_5999.html
In this paper an alternative model allowing the extension of the Debye-Hückel Theory (DHT) considering time dependence explicitly is presented. From the Electro-Quasistatic approach (EQS) introduced in earlier studies time dependent potentials are suitable to describe several phenomena especially conducting media as well as the behaviour of charged particles (ions) in electrolytes. This leads to a reformulation of the meaning of the nonlinear Poisson-Boltzmann Equation (PBE). If a concentration and/or flux gradient of particles is considered the original structure of the PBE will be modified leading to a nonlinear partial differential equation (nPDE) of the third order. It is shown how one can derive classes of solutions for the potential function analytically by application of pure algebraic steps. The benefit of the mathematical tools used here is the fact that closed-form solutions can be calculated and thus, numerical methods are not necessary. The important outcome of the present study is twofold meaningful: (i) The model equation allows the description of time dependent problems in the theory of ions, and (ii) the mathematical procedure can be used to derive classes of solutions of arbitrary nPDEs, especially those of higher order.Thu, 31 May 2018 19:30:00 +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 +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 +0100