Database for liquid phase diffusion coefficients at infinite dilution at 298 K and matrix completion methods for their prediction
Oliver Großmann, Daniel Bellaire, Nicolas Hayer, Fabian Jirasek, Hans Hasse
Abstract
We present new matrix completion methods for the prediction of binary liquid phase diffusion coefficients at infinite dilution, which are trained to a newly consolidated database in this work and outperform the established semiempirical correlations.
Topics & Concepts
DilutionBinary numberDiffusionMatrix (chemical analysis)Logical matrixWork (physics)DatabaseMatrix completionPhase (matter)Liquid phaseMaterials scienceComputer scienceThermodynamicsChemistryMathematicsChromatographyPhysicsGroup (periodic table)ArithmeticGaussianComputational chemistryOrganic chemistryNMR spectroscopy and applicationsDiffusion Coefficients in LiquidsPhase Equilibria and Thermodynamics