University of KashanIranian Journal of Mathematical Chemistry2228-648910220190701Chemical salt reactions as algebraic hyperstructures931029246910.22052/ijmc.2018.114473.1339ENDariush HeidariFaculty of science, Mahallat Institute of Higher Education, Mahallat, IranDavood MazaheriFaculty of Engineering, Mahallat Institute of Higher Education, Mahallat, IranBijan DavvazDepartment of Mathematics, Yazd University, Yazd, IranJournal Article20180111A salt metathesis reaction is a chemical process involving the exchange of bonds between two reacting chemical species, which results in the creation of products with similar or identical bonding affiliations.<br /> Hyperstructure theory is studied from the theoretical point of view and for its applications.<br /> In this paper, we provide some examples of hyperstructures associated with salt metathesis reactions, and we observe that these chemical reactions are examples of the phenomena when composition of two elements is a set of elements.http://ijmc.kashanu.ac.ir/article_92469_1bc5ada7c1440a78980f519e8f59aedf.pdfUniversity of KashanIranian Journal of Mathematical Chemistry2228-648910220190701Solving Multi-objective Optimal Control Problems of chemical processes using Hybrid Evolutionary Algorithm1031269247110.22052/ijmc.2018.137247.1370ENGholam HoseinAskarirobatiDepartment of Mathematics, Payame Noor University, P.O.Box 19395-3697, Tehran, IranAkbar Hashemi BorzabadiDepartment of Mathematics and Computer Science, Damghan University, Damghan, IranAghileh HeydariDepartment of Mathematics, Payame Noor University, Tehran, IranJournal Article20180626Evolutionary algorithms have been recognized to be suitable for extracting approximate solutions of multi-objective problems because of their capability to evolve a set of non-dominated solutions distributed along the Pareto frontier. This paper applies an evolutionary optimization scheme, inspired by Multi-objective Invasive Weed Optimization (MOIWO) and Non-dominated Sorting (NS) strategies, to find approximate solutions for multi-objective optimal control problems (MOCPs). The desired control function may be subjected to severe changes over a period of time. In response to deficiency, the process of dispersal has been modified in the MOIWO. This modification will increase the exploration power of the weeds and reduces the search space gradually during the iteration process. <br /> The performance of the proposed algorithm is compared with conventional Non-dominated Sorting Genetic Algorithm (NSGA-II) and Non-dominated Sorting Invasive Weed Optimization (NSIWO) algorithm.The results show that the proposed algorithm has better performance than others in terms of computing time, convergence rate and diversity of solutions on the Pareto frontier.http://ijmc.kashanu.ac.ir/article_92471_07fe84d73accbaed46145bd87d59b7f9.pdfUniversity of KashanIranian Journal of Mathematical Chemistry2228-648910220190701M-polynomial of some graph operations and Cycle related graphs1271509258510.22052/ijmc.2019.146761.1388ENBommanahal BasavanagoudKARNATAK UNIVERSITY DHARWADAnand PrakashBarangiDepartment of Mathematics
Karnatak University
Dharwad, Karnatak-580003
India.Praveen JakkannavarDepartment of Mathematics
Karnatak University
Dharwad, Karnataka-580003
India.Journal Article20180829In this paper, we obtain M-polynomial of some graph operations and cy-<br /> cle related graphs. As an application, we compute M-polynomial of some nanostruc-<br /> tures viz., TUC4C8[p; q] nanotube, TUC4C8[p; q] nanotorus, line graph of subdivision<br /> graph of TUC4C8[p; q] nanotube and TUC4C8[p; q] nanotorus, V-tetracenic nanotube<br /> and V-tetracenic nanotorus. Further, we derive some degree based topological indices<br /> from the obtained polynomials.http://ijmc.kashanu.ac.ir/article_92585_0c8907c78eff491f82a148e57d0c2cb1.pdfUniversity of KashanIranian Journal of Mathematical Chemistry2228-648910220190701Trees with the greatest Wiener and edge-Wiener index1511594833510.22052/ijmc.2017.81498.1279ENAli GhalavandDepartment of Pure Mathematics, Faculty of Mathematical Sciences, University of Kashan, Kashan 87317-53153, I R IranJournal Article20170407The 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.http://ijmc.kashanu.ac.ir/article_48335_04cc974385e6e35f7f9e18d45299dac1.pdfUniversity of KashanIranian Journal of Mathematical Chemistry2228-648910220190701Predeiction of ∆H0f(gas) ,∆H0f(Liq) of Amines Derivatives Using chemometrics (A Quantitative Structure-Property Relationship Study)1611799295610.22052/ijmc.2018.72357.1264ENMorteza RezaeiDepartment of Chemistry, Arak Branch, Islamic Azad University, Arak, IranEsmat MohammadinasabDepartment of Chemistry, Arak Branch, Islamic Azad University, Arak, IranJournal Article20170107In this study, multiple linear regression method that is based on property-structure model has been used to predict the standard enthalpies of formation for the gas and liquid phases of the 33 different types of amines. It was indicated that among studied topological and geometric descriptors to predict the ∆H˚<sub>f(liquid)</sub>, descriptors as PSA, H, MaxZL and V have more importance than the other descriptors. Also, the results of experiments on studied amines were compared with the results of multiple linear regression calculations and it was observed that such descriptors as MaxZL MaxPA, DE, J and WW are the best descriptors for predicting the values of ∆H˚<sub>f(gas)</sub> of this class of amines.http://ijmc.kashanu.ac.ir/article_92956_d97a8a954630b00348abfeeecc162a60.pdfUniversity of KashanIranian Journal of Mathematical Chemistry2228-648910220190701The new high approximation of stiff systems of first order IVPs arising from chemical reactions by k-step L-stable hybrid methods1811939295710.22052/ijmc.2018.111016.1335ENMohammad Mehdizadeh KhalsaraeiDepartment of Mathematics, Faculty of Sciences, University of Maragheh, Maragheh, IranAli ShokriDepartment of Mathematics, Faculty of Sciences, University of Maragheh, Maragheh, IranMaryam MolayiDepartment of Mathematics, Faculty of Sciences, University of Maragheh, Maragheh, IranJournal Article20171217In this paper, we present a new class of hybrid methods for the numerical solution of first order ordinary differential equations (ODEs). The accuracy and stability properties of the new methods are investigated. In the final section, we apply new hybrid methods to solve two stiff chemical problems such as Roberston problem.http://ijmc.kashanu.ac.ir/article_92957_eb38dd0a1d348c727b99045c5b58a2b9.pdf