Forecasting the smallest super molecular formations for alkanes of normal and isomeric structure

DmytroTregubov

National University of Civil Defence of Ukraine

http://orcid.org/0000-0003-1821-822X

Andrei Sharshanov

National University of Civil Defence of Ukraine

http://orcid.org/0000-0002-9115-3453

Dmitry Sokolov

National University of Civil Defence of Ukraine

https://orcid.org/0000-0002-7772-6577

Flora Tregubova

National University of Civil Defence of Ukraine

https://orcid.org/0000-0003-2497-7396

DOI: https://doi.org/10.52363/2524-0226-2022-35-5

Keywords: cluster, substance, melting point, "even-odd" molecules, alkanes, normal and isomeric structure, calculation

Аnnotation

The problem of melting points adequate prediction (t_mp) hydrocarbons as a base temperature for many practical calculations, based on modeling their supramolecular structure, is considered. Oscillatory dependences of t_mp(n_С) in homologous series of normal and isomeric structure alkanes are analyzed. A review of methods for taking into account in the parameters calculation of substance properties of the "evenness-oddness" effect of molecules by carbon atoms number for alkanes is performed. The substance smallest structural unit in the form of a cluster with a certain coordination number is considered. It is shown that dependences of t_mp on the molecular weight of the cluster for hydrocarbons and metals differ significantly. A conclusion is made about the determining influence of the cluster structure on t_mp (linear structure for hydrocarbons and in the form of a crystal lattice for metals). 3 calculation methods of the cluster length on the values basis of the molecule l_av and coordination number are considered. It is found that calculations based on one molecule parameters give insufficient correlation for t_mp alkanes – 0,92, after adapting the method to determine the cluster length reached R²=0,984, the calculation of the equivalent cluster length increases R² to 0,993. It is shown that calculation of t_mp should take into account the equivalent length n_Сeq and the molecular weight M of the cluster. The complex parameter "melting ease" as n_СeqM^0,2 and the corresponding analytical dependence for tmp with R²=0,99 for 90 compounds of series of hydrocarbons with the normal and isomeric structure were developed. The presence and determining influence of the substance cluster structure on t_mp is proved indirectly. The predicting possibility for t_mp(n_С) of hydrocarbons with the oscillation adequate reflection for the t_mp(n_С) dependence is achieved.

References

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Spectral properties of the dynamics of dangerous environmental factors during indoor fires

Boris Pospelov

National University of Civil Defence of Ukraine

http://orcid.org/0000-0002-0957-3839

Evgeniy Rybka

National University of Civil Defence of Ukraine

http://orcid.org/0000-0002-5396-5151

Mikhail Samoilov

National University of Civil Defence of Ukraine

http://orcid.org/0000-0002-8924-7944

Ruslan Meleshchenko

National University of Civil Defence of Ukraine

http://orcid.org/0000-0001-5411-2030

Yuliia Bezuhla

National University of Civil Defence of Ukraine

http://orcid.org/0000-0003-4022-2807

Oleksandr Yashchenko

National University of Civil Defence of Ukraine

http://orcid.org/0000-0001-7129-389X

DOI: https://doi.org/10.52363/2524-0226-2022-35-3

Keywords: ignition of materials, gaseous indoor environment, amplitude instantaneous spectrum, phase instantaneous spectrum

Аnnotation

The spectral density and amplitude and phase spectra of the dynamics of the main dangerous factors of the gas environment during the ignition of test materials in a laboratory chamber were investigated. The object of the study is the spectral properties of the dynamics of dangerous factors of the gas environment during the ignition of materials. The main subject is the spectral density and the direct Fourier transform of discrete measurements of hazardous parameters of the gas environment at fixed intervals before and after the ignition of the material. The direct discrete Fourier transform allows determining the instantaneous amplitude and phase spectra for selected fixed time intervals. This makes it possible to study the peculiarities of instantaneous amplitudes and phases of harmonic components in the spectrum of non-stationary dynamics of dangerous parameters of the gas environment. It was established that the nature of the spectral density and amplitude spectrum is uninformative from the point of view of fire detection. It was established that the main contribution to the density and amplitude spectrum of the dynamics of the investigated hazardous parameters of the gas environment in the chamber is made by frequency components in the range of 0–0,2 Hz. At the same time, the contribution to the spectral density and amplitude spectrum of frequency components above 0,2 Hz decreases significantly with increasing frequency. It was found that the use of the direct Fourier transformation of the measured data and the use of the phase spectrum for the high-frequency components of the dynamics of the hazardous parameters of the gas environment exceeding 0,2 Hz are more informative and sensitive from the point of view of detecting fires. It was established that the nature of the phase spread for the specified frequency components in the phase spectrum depends on the type of ignition material. By the nature of the phase spread of the frequency components, it is possible not only to detect ignition, but also to recognize the type of ignition material.

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Experimental verification of the hazardous gas distribution model

Maksim Kustov

National University of Civil Defence of Ukraine

http://orcid.org/0000-0002-6960-6399

Andrii Melnychenko

National University of Civil Defence of Ukraine

http://orcid.org/0000-0002-7229-6926

DOI: https://doi.org/10.52363/2524-0226-2022-35-4

Keywords: gas sorption, experimental chamber, dispersed flow, concentration distribution, deposition intensity, model adequacy, Fisher's test

Аnnotation

An experimental verification of the adequacy of the theoretical model of the distribution of hazardous gases in the air stream during its intensive deposition by dispersed jets is carried out. Comparative analysis of the results of the experiments is embedded in the confidence interval calculated by Fisher's test with a reliability of 0,95. This testifies to the reliability of previously developed mathematical models of sorption of hazardous gases. The results of experiments confirmed the high intensity of sorption of ammonia by water flow and showed that the use of water curtains can significantly reduce the size of atmospheric damage by hazardous gases. To conduct reliable experimental research and model the conditions of deposition of hazardous gases in the path of air flow, an experimental chamber for the study of sorption processes was developed and created. The developed experimental chamber and research methods provide for safety when working with hazardous gaseous substances. The design of the chamber body in the form of an elongated cylinder with a network of gas analyzers allows you to measure the dynamics of the spatial distribution of gases at different flow intensities. The method of the experiment involves three main variable parameters – air flow rate, intensity and dispersion of liquid flow and additional variable parameters determined by the physicochemical nature of sorption processes – ambient temperature and pressure, chemical composition of the liquid. The use of the developed experimental chamber in research will allow to measure the intensity of sorption processes of gaseous substances by the flow of dispersed liquids, liquid mixtures and solutions. The efficiency of practical use of the method of forecasting the intensity of emergency response with the emission of hazardous gases was tested.

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Сalculation of fire resistance of fire protected reinforced concrete structures

Andrii Kovalov

National University of Civil Defence of Ukraine

https://orcid.org/0000-0002-6525-7558

Viktor Poklonskyi

National University of Civil Defence of Ukraine

http://orcid.org/0000-0001-7801-7118

Yurii Otrosh

National University of Civil Defence of Ukraine

http://orcid.org/0000-0003-0698-2888

Vitalii Tоmеnkо

National University of Civil Defence of Ukraine

http://orcid.org/0000-0001-7139-9141

Serhii Yurchenko

National University of Civil Defence of Ukraine

http://orcid.org/0000-0002-2775-238X

DOI: https://doi.org/10.52363/2524-0226-2022-35-2

Keywords: fire resistance, reinforced concrete structures, thermal engineering calculation, numerical modeling, fire protection, fire protection coating, ANSYS

Аnnotation

A finite-element model was developed for thermal engineering calculation of a fire-resistant multi-cavity reinforced concrete floor in the ANSYS software complex. With the help of the developed model, a thermal engineering calculation of a fire-resistant reinforced concrete multi-hollow floor slab was carried out, the essence of which was to solve the problem of non-stationary thermal conductivity and was reduced to determining the temperature of the concrete of the reinforced concrete floor at any point of the cross section at a given time (including at the place of installation of the fittings).A comparison of the results of numerical modeling with the results of an experimental study of fire resistance was carried out. An approach is proposed that allows taking into account all types of heat exchange by specifying cavities as a solid body with an equivalent coefficient of thermal conductivity. The model makes it possible to study stationary and non-stationary heating of both unprotected and fire-protected reinforced concrete structures. At the same time, with the help of the developed model, it is possible to take into account various factors affecting fire-resistant reinforced concrete structures: fire temperature regimes, thermophysical characteristics of reinforced concrete structures, coatings for fire protection of reinforced concrete structures. The adequacy of the developed model was tested, as a result of which it was established that the calculated values of temperatures satisfactorily correlate with experimental data. The largest area of deviation in temperature measurement is observed at the 100 th minute of calculation and is about 3 ºС, which is 9 %. The workability of the developed model for evaluating the fire resistance of fire-resistant reinforced concrete structures and its adequacy to real processes that occur during heating of fire-resistant reinforced concrete structures with the application of a load under the conditions of fire exposure under the standard fire temperature regime have been proven.

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