We focus on molecular graphs for all alkanes and introduce a new graph parameter which, we define as the ‘conduction’. We use this new parameter, the conduction, to develop a single-variable model that predicts the boiling point of any given alkane. We use1 as the source for the ...
ALKANESFIX-point estimationPOINT set theoryFORECASTINGA general perception among researchers is that boiling points, which is a key property in the optimization of lubricant performance, are difficult to predict successfully using a single-parameter model [5, 6]. In this contribution, we propose a ...
plurality of fractions, comprising at least one acidic fraction; determining boiling point distribution of said crude oil, of said acidic fraction, and of said polyacidic fraction by simulated distillation (SD); and correlating said boiling point distributions to acid molecular weights to determine ...
International Journal of Engineering Trends & TechnologySibi S, Prof.Swarna Priya R.M, Thamizharasi A, Saloni Priya, Oshin Nayak, Using Graph Theory Concepts to Determine Boiling Point Formulae for Choloalkanes, International Journal of Engineering Trends and Technology (IJETT) - volume 5 number ...
The electrotopological descriptor along with some graph topological molecular fragments have been evaluated for the prediction and correlation of boiling points of alkanes and alcohols using multilinear regression analysis and artificial neural network. The electrotopological parameter gave a very good ...
Theoretical or Mathematical/ boiling pointgraph theorymolecular configurationsorganic compoundspolynomialsstatistical analysissymmetry/ 3D molecular models4D molecular modelsideal symmetry methodalkanesThe Method of Ideal Symmetry is applied to define new 3D and 4D molecular descriptors on the basis of some ...
based on the distance sum and connectivity of a molecular graph, previously developed by our team, were extended to predict the two physicochemical properties, including normal boiling point (NBP) and molar refractivity (MR), of a large set of organic compounds consisting of alkanes, alkenes, eth...
A graph G = [V,E] consists of a finite nonempty set V of points together with a prescribed set E of unordered pairs of distinct points of V [7]. The correlation and prediction of physical-chemistry properties of pure liquids and of mixtures, such as boiling point, density, viscosity, ...