Current Physical Chemistry - Volume 12, Issue 2, 2022

The quantum entanglement of molecular fragments in reactive systems is approached. The "external" (inter-fragment) and “internal” (intra-fragment) correlation energies are expressed in terms of the DFT average correlation holes resulting from the coupling constant integration of the scaled electron repulsion terms in the electronic Hamiltonian. Information networks in the local and configuration resolutions are exami Read More

An attempt is made for the first time in our laboratory to apply the Hammett and Taft equations to the five-membered heterocyclic ring systems pyrroles, pyrazoles, imidazole, and triazoles. It is shown that the pKa values of N(1)-H acidities of 3-X-pyrroles, 3-Xpyrazole, 4-X-pyrazole, 4-X-imidazole, 3-X-1,2,4-triazole and 4-X-1,2,3-triazole correlated well with Hammett σ values.

Background: For the reliable operation of deep-water production systems transporting hydrocarbons, the critical flow assurance problems to manage are wax and hydrate formation and their deposition due to the heat transfer between the production system and surroundings. Wax and hydrate deposition can restrict the flow with significant production loss. Methods: The adequate thermal insulation of such systems can Read More

Aims: This study aimed to explore the ultrasonic velocity and thermoacoustic parameters for copper(I) nitrates in dimethylsulfoxide with pyridine as a co-solvent at 298 K. Background: Ultrasonic velocity variation and related factors provide a plethora of information regarding the acoustic behaviour of solutions. These studies help in understanding various kinds of interactions like ionic interactions in electrolytic solutions, m Read More

Objective: In this study, a synthetic thickener was synthesized by polymerizing acrylic acid, acrylonitrile, and acrylamide. Methods: The characterisation of the thickener was confirmed with Fourier transform infrared spectral data, rheology, and viscosity. The formulated thickener was utilised to prepare reactive printing paste in different concentrations, printed on cotton. The same procedure was undertaken for th Read More

Background: In recent years, the ultimate goal has been to learn how to select ionic liquids specifically for materialistic or molecular level applications of these neoteric materials. Progress has been initiated, but much more is needed to optimize the full potential of ionic liquids in every aspect of modern-day science. Methods: A number of engineering parameters need to be determined for the challenging flourishing of i Read More