Guo, Qianjin published the artcileInsights into the Structure and Dynamics of Imidazolium Ionic Liquid and Tetraethylene Glycol Dimethyl Ether Cosolvent Mixtures: A Molecular Dynamics Approach, Application of 2,5,8,11,14-Pentaoxapentadecane, the main research area is imidazolium ionic liquid tetraethylene glycol dimethyl ether cosolvent mixture; dynamical and transport properties; hybrid binary mixtures; ionic liquids; molecular dynamics (MD) simulations; thermophysical properties.
In this work, the effect of mol. cosolvents tetraethylene glycol di-Me ether (TEGDME) on the structure and versatile nature of mixtures of these compounds with imidazolium-based ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) is analyzed and discussed at a mol. level by means of all-atom mol. dynamics (MD) simulations. In the whole concentration range of the binary mixtures, the structures and properties evolution was studied by means of systematic mol. dynamics simulations of the fraction of hydrogen bonds, the radial and spatial distribution functions for the various mol. ions and mol. species in the system, together with the snapshots visualization of equilibrated simulation boxes with a color-coding scheme and the rotational dynamics of coumarin 153 (C153) in the binary mixtures The goal of the work is to provide a mol.-level understanding of significant improvement of ionic conductivity and self-diffusion with the presence of TEGDME as a cosolvent, which causes an enhancement to the ion translational motion and fluidity in the [bmim][PF6] ionic liquids (ILs). Under a mixture concentration change, the microstructure changes of [bmim][PF6] with the TEGDME molar fraction (XTEG) above 0.50 show a slight difference from that of neat [bmim][PF6] IL and concentrated [bmim][PF6]/TEGDME mixture in terms of the radial and spatial distribution functions. The relative diffusivities of solvent mols. to cations as a function of concentration were found to depend on the solvent but not on the anion. A TEGDME increase is found to be advantageous to the dissipation of the polar regions as well as the nonpolar regions in the [bmim][PF6] ionic liquids These conclusions are consistent with the exptl. results, which verified that the unique, complex, and versatile nature of [bmim][PF6]/TEGDME mixture can be correctly modeled and discussed at a mol. level using MD simulation data.
Nanomaterials published new progress about Binary mixtures. 143-24-8 belongs to class ethers-buliding-blocks, name is 2,5,8,11,14-Pentaoxapentadecane, and the molecular formula is C10H22O5, Application of 2,5,8,11,14-Pentaoxapentadecane.
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem