Abstract
In this paper, the dielectric properties of water-dimethylsulfoxide (DMSO) mixtures with different mole ratios have been investigated in the range of 1 GHz to 40 GHz at 298 K by using a molecular dynamics (MD) simulation. Only one dielectric loss peak was observed in the frequency range and the relaxation in these mixtures can be described by a single relaxation time of the Davidson-Cole. It was observed that within experimental error the dielectric relaxation can be described by the Debye-like model (β ≈ 1, S.M. Puranik, et al. J. Chem. Soc. Faraday Trans. 1992, 88, 433 – 435). In general, the results are very consistent with the experimental measurements.
Highlights
Over the past few years, the use of microwave heating for promoting organic chemical transformations has been widely accepted by scientists [1,2]
The dielectric behavior of supercooled aqueous solutions of DMSO was investigated by Murthy
The equilibrium phase diagram of DMSO was found to be eutectic, with two compounds formed by water and DMSO at the ratios of 3:1 or 2:1 [14]
Summary
Over the past few years, the use of microwave heating for promoting organic chemical transformations has been widely accepted by scientists [1,2]. Dimethylsulfoxide (DMSO) and its mixtures with other solvents ( water) have aroused much interest among scientists in the last decades [4,5,6,7,8,9,10,11,12]. Studied the phase equilibrium and non-equilibrium behaviour of solutions dissolved in water and indicated that the water–DMSO system can, in all proportions, be crystallized completely, and a stable hydrate (DMSO·3H2O) was formed under certain conditions [15]. The dielectric constant and the relaxation time, as well as the refractive indexes and other transport properties of mixed solvents, can be conveniently tuned by changing the composition [18,19,20]. A dielectric study of DMSO-water using molecular dynamics simulation (MD) is introduced in this paper. The static dielectric constant ε0, dielectric constant at high frequency ε∞, the relaxation time τ, the Cole-Cole curve and the complex permittivity spectrum have been obtained
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