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COSMO-RS (short for COnductor like Screening MOdel for Real Solvents) [1] [2] [3] is a quantum chemistry based equilibrium thermodynamics method with the purpose of predicting chemical potentials μ in liquids. It processes the screening charge density σ on the surface of molecules to calculate the chemical potential μ of each species in ...
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.
Ionic liquids' low volatility effectively eliminates a major pathway for environmental release and contamination. Ionic liquids' aquatic toxicity is as severe as or more so than many current solvents. [65] [66] [67] Ultrasound can degrade solutions of imidazolium-based ionic liquids with hydrogen peroxide and acetic acid to relatively innocuous ...
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The Dortmund Data Bank [1] (short DDB) is a factual data bank for thermodynamic and thermophysical data. Its main usage is the data supply for process simulation where experimental data are the basis for the design, analysis, synthesis, and optimization of chemical processes.
Ioliomics (from a portmanteau of ions and liquids) is the study of ions in liquids (or liquid phases) and stipulated with fundamental differences of ionic interactions. [1] Ioliomics covers a broad research area concerning structure, properties and applications of ions involved in various biological and chemical systems.
1-Butyl-3-methylimidazolium hexafluorophosphate, also known as BMIM-PF 6, is a viscous, colourless, hydrophobic and non-water-soluble ionic liquid with a melting point [1] of -8 °C. Together with 1-butyl-3-methylimidazolium tetrafluoroborate, BMIM-BF 4, it is one of the most widely studied ionic liquids. It is known to very slowly decompose in ...
where z is the electrical charge on the ion, I is the ionic strength, ε and b are interaction coefficients and m and c are concentrations. The summation extends over the other ions present in solution, which includes the ions produced by the background electrolyte. The first term in these expressions comes from Debye–Hückel theory.