scholarly journals A New Model For Predicting Boiling Points of Alkanes

Author(s):  
Simon Mukwembi ◽  
Farai Nyabadza

Abstract A 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 new graph parameter which we call, for lack of better terminology , the conduction of a graph. We exploit the conduction of a graph to develop a single-parameter model for predicting the boiling point of any given alkane. The accuracy of our model compares favourably to the accuracy of experimental data in literature. Our results have significant implications on the estimation of boiling points of chemical compounds in the absence of experimental data.

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Simon Mukwembi ◽  
Farai Nyabadza

AbstractA 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. In this contribution, we propose a new graph parameter which we call, for lack of better terminology, the conduction of a graph. We exploit the conduction of a graph to develop a single-parameter model for predicting the boiling point of any given alkane. The model was used to predict the boiling points for three sets of test data and predicted with a coefficient of determination, $$R^2=0.7516,~0.7898$$ R 2 = 0.7516 , 0.7898 and 0.6488, respectively. The accuracy of our model compares favourably to the accuracy of experimental data in the literature. Our results have significant implications on the estimation of boiling points of chemical compounds in the absence of experimental data.


1860 ◽  
Vol 150 ◽  
pp. 257-276 ◽  

The researches which I beg, in the following pages, to submit to the Royal Society, embody the results obtained in the further development of an observation which I made a considerable number of years ago, and which, since that time, I had to defend against the objections of others, both by experimental inquiries of my own, and by the collection and discussion of facts elicited in the investigations of other observers. As far back as 1841* I pointed out that in analogous compounds the same difference of composition frequently involves the same difference in boiling-points. The assertion of the existence of this law-like relation between the chemical composition of substances and one of their most important physical properties, when first enunciated, met rather with the opposition than with the assent of chemists. In Germany especially it was contested by Schröder in his memoir “On the Molecular Volume of Chemical Compounds.” These objections led me to collect additional evidence in favour of my views, and to show more particularly that in very extensive series of compounds (alcohols C n H n+2 O 2 ; acids C n H n O 4 ; compound ethers C n H n O 4 , &c.) an elementary difference x C 2 H 2 is attended by a difference of x X 19°C. in the boiling-points, and how this fact is intimately connected with other regularities exhibited by the boiling-points of organic compounds. Almost at the same period Schröder § convinced himself that the relation I had pointed out obtains in most cases. He collected himself a considerable number of illustrations of the regularities I had traced, and showed that the relation in question is rendered more especially conspicuous if the compounds be expressed by formulæ representing equal vapour-volumes of the several substances. Some of the views, however, which were peculiar to Schröder have not gained the approbation of chemists. This physicist was inclined to consider the boiling-point of a substance as the most essential criterion of its proximate constituents, as the most trustworthy indicator of its molecular consti­tution. His views were chiefly based upon the assumption that the elementary difference C 2 H 2 , when occurring in alcohols C n H n+2 O 2 , involved a difference of boiling-points other than that occasioned by the same elementary difference obtaining in acids C n H n O 4 and that the isomeric compound ethers differed from one another in their boiling-points. An extensive series of boiling-point determinations* which I made of these isomeric ethers, proved that the latter assumption is not founded on facts. The exertions made by Schröder, Gerhardt, Löwig and others, in the hope of recognizing the influence of the constituent elements on the boiling-point of a compound, have also essentially remained without result.


1983 ◽  
Vol 48 (9) ◽  
pp. 2446-2453 ◽  
Author(s):  
Jan Linek

Isothermal vapour-liquid equilibrium data at 65, 73 and 80 °C and isobaric ones at 101.3 kPa were measured in the tetrachloromethane-sec-butyl alcohol system. A modified circulation still of the Gillespie type was used for the measurements. Under the conditions of measurement, the system exhibits positive deviations from Raoult's law and minimum boiling-point azeotropes. The experimental data were fitted to a number of correlation equations, the most suitable being the Wilson equation.


2008 ◽  
Vol 74 (3) ◽  
pp. 391-429 ◽  
Author(s):  
G. HERDRICH ◽  
D. PETKOW

AbstractThe development of the inductively driven plasma wind tunnel PWK3, which enables the electrodeless generation of high-enthalpy plasmas for the development of heat shield materials required for space vehicles performing entry manoeuvres in the atmospheres of Venus, Earth and Mars, is described. The facility with its modular inductive plasma generators allows operation with gases such as carbon dioxide, air, oxygen and nitrogen and was qualified for thermal plasma powers up to 60 kW. Previously developed models for determining plasma properties and plasma source related characteristics enable a maximum plasma power in combination with long operational periods using different operational gases and gas mixtures. This is achieved by an optimization using the optimum operational frequency, a minimization of field losses using very thin plasma tube wall thicknesses and the successful application of MHD effects. Based on the solved cylinder problem for ICPs, a one-dimensional model for radial Lorentz forces and magnetic pressure has been developed. Here, a synthesis of previously published data and works is made where the new algebraic model for the calculation of Lorentz forces and magnetic pressures in an ICP was used and applied to experimental data. In addition, results from the model using the experimental data are shown to be consistent and, in addition, a comparison with a simpler model based on the well-known exponential approach for ICPs showed that the simpler model is covered without fail by the new model. The new model also states that there is a maximum of the Lorentz forces over the damping parameter d/δ (plasma diameter divided by skin depth) which almost corresponds with the position of the maximum plasma power of the cylindric model for ICPs. For the magnetic pressure the position of the maximum pressure is identical to the value for d/δ for the maximum plasma power.


Part I. — Pressures below 760 mm . In a previous communication (‘Proc.’, A, vol. 82, 1909, p. 396) the approximate boiling points of a number of metals were determined at atmospheric pressure. Apart from the question of finding the exact relation between the boiling point and pressure, it is an important criterion of any method for fixing the temperatures of ebullition to demonstrate that the experimental values obtained are dependent on the pressure. It is specially desirable when dealing with substances boiling at temperatures above 2000° to have some evidence that the points indicated are true boiling points. Previous work on the vaporisation of metals at different pressures has been confined to experiments in a very high vacuum except for metals like bismuth, cadmium, and zinc, which boil at relatively low temperatures under atmospheric pressure. The observations were limited to very low pressures on account of the difficulty of obtaining any material capable of withstanding a vacuum at temperatures over 1400° and the consequent necessity for keeping the boiling point below this limit by using very low pressures. Moreover in the case of the majority of the metals, e. g. , copper, tin, ebullition under reduced pressure has never been observed. The difficulties indicated above were avoided by using a similar type of apparatus to that previously described, and arranging the whole furnace inside a vacuum enclosure, thus permitting of the use of graphite crucibles to contain the metal.


2018 ◽  
Vol 141 (5) ◽  
Author(s):  
Yeshaswini Emmi ◽  
Andreas Fiolitakis ◽  
Manfred Aigner ◽  
Franklin Genin ◽  
Khawar Syed

A new model approach is presented in this work for including convective wall heat losses in the direct quadrature method of moments (DQMoM) approach, which is used here to solve the transport equation of the one-point, one-time joint thermochemical probability density function (PDF). This is of particular interest in the context of designing industrial combustors, where wall heat losses play a crucial role. In the present work, the novel method is derived for the first time and validated against experimental data for the thermal entrance region of a pipe. The impact of varying model-specific boundary conditions is analyzed. It is then used to simulate the turbulent reacting flow of a confined methane jet flame. The simulations are carried out using the DLR in-house computational fluid dynamics code THETA. It is found that the DQMoM approach presented here agrees well with the experimental data and ratifies the use of the new convective wall heat losses model.


2020 ◽  
Vol 198 ◽  
pp. 01030
Author(s):  
Wang Tieli

By analyzing the momentum transfer and velocity both of solid particles and water over the acceleration time of solid particles, as well as interaction mechanism between water and solid particals, a new model is proposed to predict friction loss for setting slurry flow in inclined pipe. The hydraulic gradient formula for inclined pipes summarized by the author is confirmed by a large amount of experimental data. The results show that the deviation between the theoretical value of the model proposed by the author and the measured value is not more than 13.33%, which is the smallest among all reports.


2019 ◽  
Vol 33 (26) ◽  
pp. 1950313
Author(s):  
Li-Na Wang ◽  
Xing-Yu Zhao ◽  
Yi-Neng Huang

The Debye relaxation of dielectric spectroscopy exists extensively in monohydroxy alcohols, and the existing theory of the dielectric strength is obviously inconsistent with the experimental results. In this paper, we propose an Ising model of infinite free-rotating pseudospin chains and get the exact solution of the dielectric strength versus temperature. The model predictions are qualitatively consistent with the experimental results, especially the crossover from the low to the high-temperature Curie–Weiss law. The quantitative comparisons indicate that the model predictions can agree well with the experimental data below 250 K.


Author(s):  
S. Neelakantan ◽  
M. E. Crawford

A new model is developed to predict laterally-averaged film cooling. At the injection location, the near-hole region is leapt over and the injectant is distributed according to an existing jet in cross flow model and experimental data. The subsequent dispersion of the injectant is simulated to reflect the augmented mixing and the 3-dimensionality of the flow field. The new model is calibrated to predict effectiveness and heat transfer using the experimental data bases of Schmidt et al. (1994), Sen et al. (1994), Kohli et al. (1994), and Sinha et al. (1991). The geometries include injection angles of 35° and 55° with compound angles of 0° and 60° and hole spacings of 3 and 6 diameters. The new model yields improved effectiveness predictions over previous 2-D models.


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