Do phase transition temperatures Tmp and Tbp obey linear free energy relationships?

Sanjeev, R.; Jagannadham, V.

doi:10.1016/j.molliq.2020.112496

Cited by 2 publications

(3 citation statements)

References 15 publications

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“…The boiling point depends on the strength of the intermolecular attraction. The greater the intermolecular attraction, the more energy that must be supplied to make it boil and thus the higher the boiling point . For molecules with similar structures, intermolecular van der Waals forces depend mainly on the MW.…”

Section: Resultsmentioning

confidence: 99%

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Predicting the Physicochemical Properties of Molecules in Petroleum Based on Structural Increments

Hou

Qin

et al. 2023

Ind. Eng. Chem. Res.

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The structure-oriented lumping (SOL) method has been widely applied to molecular-level modeling and optimization in the refining industry. Calculating the physicochemical properties of products obtained by the SOL models can effectively guide the evaluation of product quality and optimization of the process. In this study, the SOL method was improved by extending the structural increments from 22 to 38 to describe the molecules in petroleum more accurately. According to the basic law that the properties and structures of molecules are inseparable, the structural increments with similar physical meanings were combined into a functional group to reduce the dimension to 11 characteristic parameters to describe the molecular structure, and a property prediction method that can be combined with the molecularlevel refining models based on the optimized SOL method was constructed. In addition, the accuracy of the selection and definition of the 11 functional groups was verified by analyzing and discussing the effects of functional groups on the properties, which, in turn, ensured the accuracy of the property prediction models. Compared with other property prediction methods, this method can be combined with the SOL method to provide reliable predictions of the boiling point, critical temperature, critical volume, critical pressure, density, cetane number, motor octane number, and research octane number of molecules.

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Section: Resultsmentioning

confidence: 99%

“…The greater the intermolecular attraction, the more energy that must be supplied to make it boil and thus the higher the boiling point. 45 For molecules with similar structures, intermolecular van der Waals forces depend mainly on the MW. Figure 11a confirms that the MW has a strong positive effect on the boiling point.…”

Section: Boiling Pointmentioning

confidence: 99%

Predicting the Physicochemical Properties of Molecules in Petroleum Based on Structural Increments

Hou

Qin

et al. 2023

Ind. Eng. Chem. Res.

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“…In addition, the combustion of metal particles is subject to profound influence by the boiling temperature. The boiling point of a substance is contingent upon intermolecular forces such as hydrogen bonding, ionic interactions, and Van der Waals forces [32,33]. These forces exert a governing influence in determining the boiling points of substances, which can subsequently impact the ignition behavior of thermites.…”

Section: Ignition and Combustion Of Metal And Metalloid Particlesmentioning

confidence: 99%

Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

Ghedjatti,

Yuan,

Wang

2024

Energies

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The development of nano-energetic materials has significantly advanced, leading to enhanced properties and novel applications in areas such as aerospace, defense, energy storage, and automobile. This research aims to engineer multi-dimensional nano-energetic material systems with precise control over energy release rates, spatial distribution, and temporal and pressure history. In this context, sol–gel processing has been explored for the manufacture of nanocomposite aluminum thermites using aerogels. The goal is to produce nano-thermites (Al/Fe2O3) with fast energy release rates that are insensitive to unintended initiation while demonstrating the potential of sol–gel-derived aerogels in terms of versatility, tailored properties, and compatibility. The findings provide insightful conclusions on the influence of factors such as secondary oxidizers (KClO3) and dispersants (n-hexane and acetone) on the reaction kinetics and the sensitivity, playing crucial roles in determining reactivity and combustion performance. In tandem, ignition systems contribute significantly in terms of a high degree of reliability and speed. However, the advantages of using nano-thermites combined with hot bridge-wire systems in terms of ignition and combustion efficiency for potential, practical applications are not well-documented in the literature. Thus, this research also highlights the practicality along with safety and simplicity of use, making nano-Al/Fe2O3-KClO3 in combination with hot bridge-wire ignition a suitable choice for experimental purposes and beyond.

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Do phase transition temperatures Tmp and Tbp obey linear free energy relationships?

Cited by 2 publications

References 15 publications

Predicting the Physicochemical Properties of Molecules in Petroleum Based on Structural Increments

Predicting the Physicochemical Properties of Molecules in Petroleum Based on Structural Increments

Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

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