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Wang, Z.-W.; Feng, J.-L.; Wang, H.-J.; Cui, Z.-G.; Li, G.-Z. Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach. J. Dispersion Sci. Technol. 2005, 26, 441–447.

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Wang, Z.-W.; Feng, J.-L.; Wang, H.-J.; Cui, Z.-G.; Li, G.-Z. Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach. J. Dispersion Sci. Technol. 2005, 26, 441–447.

QDB archive DOI: 10.15152/QDB.152   DOWNLOAD

QsarDB content

Property gamma0: Lowest surface tension [mN/m]

Tab5: Model for nonionic surfactants

Regression model (regression)

Open in:QDB Explorer QDB Predictor

Name Type n

R2

σ

Training set training 30 0.987 0.508

Citing

When using this QDB archive, please cite (see details) it together with the original article:

  • Piir, G. Data for: Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach. QsarDB repository, QDB.152. 2015. http://dx.doi.org/10.15152/QDB.152

  • Wang, Z.-W.; Feng, J.-L.; Wang, H.-J.; Cui, Z.-G.; Li, G.-Z. Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach. J. Dispersion Sci. Technol. 2005, 26, 441–447. http://dx.doi.org/10.1081/dis-200054572

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dc.date.accessioned 2015-04-01T07:33:09Z
dc.date.available 2015-04-01T07:33:09Z
dc.date.issued 2015-04-01 *
dc.identifier.uri http://hdl.handle.net/10967/152
dc.identifier.uri http://dx.doi.org/10.15152/QDB.152
dc.description.abstract Quantitative structure-property relationship (QSPR) study was made for the prediction of surface tension at the critical micelle concentration of nonionic surfactants (gamma(0)) in aqueous solution with the quantum chemistry method. The optimum regressed model simply includes three descriptors: a constitutional descriptor, the number of oxygen atoms of the hydrophilic segment (NO); a topological descriptor, the Kier and Hall index of zero order (KH0) of the hydrophobic segment; and a quantum chemical descriptor, the heat of formation (Delta H-f) of a mole of surfactant molecules. The established general QSPR between gamma(0) and the descriptors produces a correlation coefficient of multiple determination, R-2 = 0.9942, for 30 studied nonionic surfactants.
dc.publisher Geven Piir
dc.rights Attribution 4.0 International
dc.rights.uri http://creativecommons.org/licenses/by/4.0/
dc.title Wang, Z.-W.; Feng, J.-L.; Wang, H.-J.; Cui, Z.-G.; Li, G.-Z. Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach. J. Dispersion Sci. Technol. 2005, 26, 441–447.
qdb.property.endpoint 1. Physical Chemical Properties 1.5. Surface tension en_US
qdb.descriptor.application MOPAC 7.0 en_US
bibtex.entry article en_US
bibtex.entry.author Wang, Z.-W.
bibtex.entry.author Feng, J.-L.
bibtex.entry.author Wang, H.-J.
bibtex.entry.author Cui, Z.-G.
bibtex.entry.author Li, G.-Z.
bibtex.entry.doi 10.1081/dis-200054572 en_US
bibtex.entry.journal J. Dispersion Sci. Technol. en_US
bibtex.entry.month Jul
bibtex.entry.number 4 en_US
bibtex.entry.pages 441–447 en_US
bibtex.entry.title Effectiveness of Surface Tension Reduction by Nonionic Surfactants with Quantitative Structure-Property Relationship Approach en_US
bibtex.entry.volume 26 en_US
bibtex.entry.year 2005
qdb.model.type Regression model (regression) en_US


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