Прогнозування Найменших Надмолекулярних Структур Алканів Нормальної Та Ізомерної Будови

Tregubov, Dmytro; Sharshanov, Andrei; Sokolov, Dmitry; Hapon, Yuliana

doi:10.52363/2524-0226-2022-35-5

Cited by 6 publications

(2 citation statements)

References 11 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Although the tbp of liquids chosen for comparison are approximately the same, they have different tmp. This indicates a difference in the clustering coefficient, which is associated with the cluster equivalent length nСeq, the "melting ease" index nM=nСeqМ 0.2 [32], and tmp=101.85ln(nM)-452.37, о С. These dependences correlation for benzene occurs for the hexamer, for 1,2-dichloroethane -for the tetramer (as well as according to the spectral analysis [35]).…”

Section: Research Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Relationship Between Properties of Floating Systems and Flammable Liquids in the Stopping Their Burning Technology

Tregubov,

Dadashov,

Nuianzin

et al. 2023

KEM

Self Cite

View full text Add to dashboard Cite

The contributions balance of isolation and cooling effects relative to the liquids surface to slow down their evaporation and to achieve safe vapor concentrations is determined. The influence of liquids characteristic temperatures and their water solubility on this process is considered. It is proven that the long-term effect of such means is provided by systems based on closed-pore floating solid materials (for example, foam glass). It is proposed to increase the foam glass low isolation and cooling capacity either by coating it with an inorganic gel or by wetting it with water. Smaller evaporation retardation coefficients by gel were obtained for liquids with the higher water solubility. A 5–6 times greater cooling capacity of the wet foam glass than dry foam glass was obtained for both polar and non-polar liquids. A smaller cooling effect is observed for liquids with a higher vaporization heat and is similar for both the use of the dry and wet foam glass. It was found that for low-boiling non-polar liquids, the evaporation slowing down is more effectively achieved by using isolation effects, and for high-boiling polar and non-polar liquids - by using cooling effects. It is proved that the fire extinguishing effect by applying the foam glass layer on the flammable liquid surface occurs in a similar way for liquids with close equivalent cluster lengths and not flash temperatures.

show abstract

Section: Research Resultsmentioning

confidence: 99%

“…The evaporation intensity even in one homologous series is affected by the "even-odd" molecules phenomenon in terms of the carbon atoms number in the hydrocarbon chain, which is related to cluster formation peculiarities. For example, a zigzag-like dependence is observed for vm(b) in the alkanes and alcohols homologous series [31,32].…”

Section: Literature Reviewmentioning

confidence: 97%

Relationship Between Properties of Floating Systems and Flammable Liquids in the Stopping Their Burning Technology

Tregubov,

Dadashov,

Nuianzin

et al. 2023

KEM

Self Cite

View full text Add to dashboard Cite

show abstract

Cluster Mechanism of the Explosive Processes Initiation in the Matter

Tregubov,

Slepuzhnikov,

Chyrkina

et al. 2023

KEM

Self Cite

View full text Add to dashboard Cite

The relationship between substance characteristic temperatures: autoignition, melting, flash, boiling is demonstrated and analyzed. Based on the oscillatory and step changes presence, a conclusion was made about the supramolecular structures presence and periodicity in the n-alkanes homologous series. A method for modeling equivalent lengths of peroxide supramolecular structures for predicting the explosion and fire hazard parameters of n-alkanes is proposed. An approximation dependence was developed for predicting autoignition temperatures tai of n-alkanes. It is shown that stoichiometric concentrations of the various supramolecular peroxide structures formation accord to different flammability and explosion limits. A correlation between tai and Anti-Knock Index (AKI) was established. An approximation dependence was developed for predicting n-alkanes AKI. The detonation propensity index КD was introduced based on cluster supramolecular structures modeling and melting temperatures. It is shown that КD indicator correlates with the n-alkanes AKI and with the explosives detonation velocity. The possibility of taking into account during calculations the supramolecular structures presence at the combustion stage confirms their existence.

show abstract

Substances explosive properties formation

Tregubov

Deyneko

Slepuzhnikov

et al. 2022

PES

View full text Add to dashboard Cite

Formation mechanisms of substances explosive properties based on the supramolecular structure prediction were studied and the appropriate analytical index was developed. The explosiveness index Kр was introduced based on the "melting ease" parameter, taking into account the equivalent length nСeq of the smallest supramolecular structure in the cluster form. The model performance was tested for the simplest explosive – nitromethane and similar compounds. It is shown that for values of the index Kр<1, combustible substances are not capable of the detonation, and for Kр>1, this index is proportional to the explosives detonation velocity. According to the presence of the explosive properties oscillation, using the example of alkanes homologous series, a connection was established with supramolecular structure features of the substance in the solid state. It is explained that such oscillation is the phenomenon consequence of molecules "evenity-oddity" in a homologous series and indicates the transition in the flame front of a substance to a solid state. It is proposed to consider the spread of the defla-gration and detonation combustion as different mechanisms of clustering in the flame front. A model is considered that for combustible substances due to the pressures in the flame front, the condensation or peroxide clustering can occur in a similar way to their clustering during the phase transition to the solid state at the melting temperature, which involves the formation of supramolecular polymer-like structures that are easier to condense under increased pressure in flame front. It has been proven that the difference between the detonation process of combustible mixtures and the detonation of explosive compounds is the need for a phase transition to a condensed state in the substance clusters form or its peroxides.

show abstract

Прогнозування Найменших Надмолекулярних Структур Алканів Нормальної Та Ізомерної Будови

Cited by 6 publications

References 11 publications

Relationship Between Properties of Floating Systems and Flammable Liquids in the Stopping Their Burning Technology

Relationship Between Properties of Floating Systems and Flammable Liquids in the Stopping Their Burning Technology

Cluster Mechanism of the Explosive Processes Initiation in the Matter

Substances explosive properties formation

Contact Info

Product

Resources

About