Agglomeration in dimethyl sulfoxide and water binary System: A comprehensive study through thermodynamics, vibrational spectroscopy, quantum mechanical calculations and morphology

2024

Full text Open access: Hybrid Metadata (CSL-JSON)
DOI 10.1016/j.molliq.2024.125333
Data confidence 70 medium
How this score is calculated

It is built from checkable properties of the record itself: whether the article has a DOI, how many independent sources confirmed its data, whether the required fields are filled in, and how recent the latest confirmation is. Disagreement between sources and a missing identifier lower it. A value of 80 or above means the record was published without further checking; 60 to 79 means it is published at reduced confidence, with a manual check advisable. A record verified by an editor by hand is never pushed below 90 by a recalculation. This scores our data about the article, not the article itself.

Abstract

Some nano- or micro-sized agglomerates with different morphologies in the dimethyl sulfoxide (DMSO) and water binary system at different molar fractions were characterized using Scanning Electron Microscope (SEM) and Dynamic Light Scattering (DLS) for the first time. Four fundamental clusters with the composition of [(DMSO)2], [(DMSO)3], [(DMSO)2 ∙ H2O] and [(DMSO)3 ∙ H2O] were identified through the combination of quantum mechanical calculations and vibrational spectroscopy. These clusters act as seeds for the growth of agglomerates both in pure DMSO and in DMSO-water binary mixtures. According to SEM images, the morphology of the agglomerates varies with the molar fraction, wherein two main kinds were observed, viz. one growing from the center and spreading out to the surrounding, and the other growing into a chain-like structure. Inter-cluster and/or inter-agglomerate interactions are responsible for the molar fraction dependence of density, viscosity and other related thermodynamic properties. The present work is the first to study the morphology of agglomerates in the DMSO-water binary system and the first to propose the essential roles played by four dominant clusters in the agglomerating process.