Prediction of plasticizer solvency using hansen solubility Serbia

  • Prediction of plasticizer solvency using hansen solubility Serbia
  • Prediction of plasticizer solvency using hansen solubility Serbia
  • Prediction of plasticizer solvency using hansen solubility Serbia
  • How to estimate Hansen solubility parameters of pure organic compounds?
  • A group-contribution method for the estimation of Hansen solubility parameters of pure organic compounds is presented. It uses two kinds of characteristic groups: first-order groups that describe the basic molecular structure of compounds and second-order groups, which are based on the conjugation theory and improve the accuracy of predictions.
  • Which characteristic groups are used to predict Hansen Solubility Parameters?
  • A large variety of characteristic groups ensure the prediction of Hansen solubility parameters for a broad series of organic compounds, including those having complex multi-ring, heterocyclic, and aromatic structures. The predictions are exclusively based on the molecular structure of compounds, and no experimental data are needed.
  • How reliable are the predictions based on the molecular structure of compounds?
  • The predictions are exclusively based on the molecular structure of compounds, and no experimental data are needed. The predicted values permit a fairly reliable selection of solvents based on the radius of a Hansen solubility parameter sphere or on a Teas parameter ternary plot.
  • How did Hansen improve vaporization theory?
  • More specifically, Hansen improved this concept through the development of a theory able to describe the total energy of vaporization of a liquid based on three individual energies: ED, (atomic) dispersion forces; EP (molecular) permanent dipole-permanent dipole force; and, EH (molecular) hydrogen bonding.
  • Which polar solubility parameter has higher variability than D?
  • The Hansen polar solubility parameter data set showed higher variability in comparison to δ D. The mean value of δ P was 6.15 ± 4.67 MPa 1/2, indicating a coefficient of variation equal to 76%, with values ranging from 0 to 21.4 MPa 1/2.
  • What descriptors are used to correlate Hansen parameters?
  • The COSMO-RS descriptors chosen to correlate the Hansen parameters in this work were: surface area (area), M 2X, M 3X, M 5X, M Hba3X, M Hbd3X, Eint, EvdW, EMF, and EHB. Considering the difficulties of developing linear HSP models, as related by Járvas and co-workers, (19) in this work a factorial regression was used.

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