Results 1 to 10 of about 4,458 (239)

Molecular Liquids versus Ionic Liquids: The Interplay between Inter-Molecular and Intra-Molecular Hydrogen Bonding as Seen by Vaporisation Thermodynamics [PDF]

open access: yesMolecules, 2023
In this study, we determined the enthalpies of vaporisation for a suitable set of molecular and ionic liquids using modern techniques for vapour pressure measurements, such as the quartz crystal microbalance, thermogravimetric analysis (TGA), and gas ...
Sergey P. Verevkin   +2 more
doaj   +4 more sources

Nearest-Neighbour and Non-Nearest-Neighbour Non-Covalent Interactions between Substituents in the Aromatic Systems: Experimental and Theoretical Investigation of Functionally Substituted Benzophenones [PDF]

open access: yesMolecules, 2022
Benzophenone derivatives exhibit not only biological activity but also act as photo initiator and UV blocker. We carried out experimental and theoretical thermochemical studies of hydroxy- and methoxy-substituted benzophenones.
Artemiy A. Samarov   +2 more
doaj   +2 more sources

In the footsteps of August Michaelis: Syntheses and Thermodynamics of Extremely Low‐Volatile Ionic Liquids [PDF]

open access: yesChemistryOpen, 2021
A series of nine different known ionic liquids or low melting salts was synthesised and purified. They are composed of the [NTf2]– (bis(trifluoromethane)sulfonimide), [OTf]– (trifluoro‐methane‐sulfonate), or [B(CN)4]– (tetracyanidoborate) anion and [Ph4P]
Dr. Dzmitry H. Zaitsau   +5 more
doaj   +2 more sources

Enthalpy of vaporisation of butanediol isomers [PDF]

open access: yesThe Journal of Chemical Thermodynamics, 2003
Abstract The enthalpies of vaporisation of isomers of butanediol were determined by calorimetric measurements. A Knudsen effusion cell was used for this purpose. The values of the standard enthalpy of vaporisation obtained for the different isomers were compared and significant differences were found between them.
Eusébio, M. Ermelinda   +4 more
openaire   +4 more sources

A graph-based computational approach for modeling physicochemical properties in drug design [PDF]

open access: yesScientific Reports
The efficacy and effectiveness of antibiotics and neuropathic drugs are essentially guided by their physicochemical properties governing stability, bioavailability, and therapeutic activity.
Ibrahim Al-Dayel   +5 more
doaj   +2 more sources

Consistency of Water Vapour Pressure and Specific Heat Capacity Values for Modelling Clay-Based Engineered Barriers

open access: yesApplied Sciences, 2023
The aim of this study is to assess the consistency in the modelling of thermo-hydraulic problems in clay-based engineered barriers. This study focuses on two aspects: the modelling of vapour pressure as a function of temperature, and the specific heat ...
Laura Asensio   +2 more
doaj   +1 more source

Structure-property relationships in alkoxy substituted benzoates from experimental and computational thermochemistry

open access: yesChemical Thermodynamics and Thermal Analysis, 2023
The energetics of formation and the phase transitions for isomeric methyl and ethyl methoxy‑benzoates were studied. The vapour pressures of methyl 2‑methoxy-benzoate and methyl 4‑methoxy-benzoate were measured by transpiration method.
Sergey P. Verevkin   +2 more
doaj   +1 more source

Non-Covalent Interactions in Triglycerides: Vaporisation Thermodynamics for Quantification of Dispersion Forces

open access: yesThermo, 2022
Qualitatively, the non-covalent interactions are well-known and help to explain many phenomena in chemistry and biochemistry. Quantitatively, determination of strength this force is a challenging task.
Sergey P. Verevkin, Ruslan N. Nagrimanov
doaj   +1 more source

Platform Chemicals from Ethylene Glycol and Isobutene: Thermodynamics “Pays” for Biomass Valorisation and Acquires “Cashback”

open access: yesChemistry, 2023
Ethylene glycol (EG) produced from biomass is a promising candidate for several new applications. In this paper, EG derivatives such as mono- and di-tert-butyl ethers are considered.
Sergey P. Verevkin   +1 more
doaj   +1 more source

Thermodynamics of Chemical Hydrogen Storage: Are Sterically Hindered and Overcrowded Molecules More Effective?

open access: yesApplied Sciences, 2023
Homocyclic aromatics with different degrees of alkylation have been investigated so far as Liquid Organic Hydrogen Carriers (LOHC). A low enthalpy of reaction for the dehydrogenation reaction is generally considered beneficial.
Sergey P. Verevkin   +5 more
doaj   +1 more source

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