Modeling the Water−Supercritical CO2Partition Coefficients of Organic Solutes Using a Linear Solvation Energy Relationship†

Anthony F. Lagalante; Thomas J. Bruno

doi:10.1021/jp973047o

Modeling the Water−Supercritical CO2Partition Coefficients of Organic Solutes Using a Linear Solvation Energy Relationship†

The Journal of Physical Chemistry B ◽

10.1021/jp973047o ◽

1998 ◽

Vol 102 (6) ◽

pp. 907-909 ◽

Cited By ~ 21

Author(s):

Anthony F. Lagalante ◽

Thomas J. Bruno

Keyword(s):

Solvation Energy ◽

Organic Solutes ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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Correlation and Prediction of Partition Coefficients of Organic Solutes between Water and an Organic Solvent with a Generalized Form of the Linear Solvation Energy Relationship

Industrial & Engineering Chemistry Research ◽

10.1021/ie00040a041 ◽

1995 ◽

Vol 34 (1) ◽

pp. 373-381 ◽

Cited By ~ 17

Author(s):

Petra Meyer ◽

Gerd Maurer

Keyword(s):

Organic Solvent ◽

Partition Coefficients ◽

Solvation Energy ◽

Organic Solutes ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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Measurement and Modeling of the Water−R143A Partition Coefficients of Organic Solutes Using a Linear Solvation Energy Relationship

The Journal of Physical Chemistry B ◽

10.1021/jp991264e ◽

1999 ◽

Vol 103 (34) ◽

pp. 7319-7323 ◽

Cited By ~ 5

Author(s):

Anthony F. Lagalante ◽

Adam M. Clarke ◽

Thomas J. Bruno

Keyword(s):

Partition Coefficients ◽

Solvation Energy ◽

Organic Solutes ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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Correlation of partition coefficients of organic solutes between water and an organic solvent. An application of the linear solvation energy relationship

Industrial & Engineering Chemistry Research ◽

10.1021/ie00021a036 ◽

1993 ◽

Vol 32 (9) ◽

pp. 2105-2110 ◽

Cited By ~ 15

Author(s):

Petra Meyer ◽

Gerd Maurer

Keyword(s):

Organic Solvent ◽

Partition Coefficients ◽

Solvation Energy ◽

Organic Solutes ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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Linear Solvation Energy Relationship of the Limiting Partition Coefficient of Organic Solutes between Water and Activated Carbon

Environmental Science & Technology ◽

10.1021/es950200o ◽

1996 ◽

Vol 30 (1) ◽

pp. 143-152 ◽

Cited By ~ 47

Author(s):

Dean C. Luehrs ◽

James P. Hickey ◽

Peter E. Nilsen ◽

K. A. Godbole ◽

Tony N. Rogers

Keyword(s):

Activated Carbon ◽

Partition Coefficient ◽

Solvation Energy ◽

Organic Solutes ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Relationship Of ◽

Linear Solvation

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Modeling the Water-R134a Partition Coefficients of Organic Solutes Using a Linear Solvation Energy Relationship

The Journal of Physical Chemistry B ◽

10.1021/jp9827431 ◽

1998 ◽

Vol 102 (44) ◽

pp. 8889-8892 ◽

Cited By ~ 8

Author(s):

Anthony F. Lagalante ◽

Adam M. Clarke ◽

Thomas J. Bruno

Keyword(s):

Partition Coefficients ◽

Solvation Energy ◽

Organic Solutes ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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Characterization of retrograde condensate oil by inverse gas chromatography with linear solvation energy relationship modelling

Acta Chromatographica ◽

10.1556/achrom.22.2010.1.4 ◽

2010 ◽

Vol 22 (1) ◽

pp. 57-67

Author(s):

N. E. Moustafa

Keyword(s):

Gas Chromatography ◽

Inverse Gas Chromatography ◽

Solvation Energy ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19991727 ◽

1999 ◽

Vol 64 (11) ◽

pp. 1727-1747 ◽

Cited By ~ 7

Author(s):

George R. Famini ◽

Dalia Benyamin ◽

Christina Kim ◽

Rattiporn Veerawat ◽

Leland Y. Wilson

Keyword(s):

Correlation Analysis ◽

Distribution Coefficient ◽

Water Distribution ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Linear Solvation Energy Relationship ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Water Equilibrium ◽

Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

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Evaluation of a series of phenyl-type stationary phases in supercritical fluid chromatography with the linear solvation energy relationship model and its application to the separation of phenolic compounds

Journal of Chromatography A ◽

10.1016/j.chroma.2019.460700 ◽

2020 ◽

Vol 1614 ◽

pp. 460700 ◽

Cited By ~ 1

Author(s):

Dasen Jiang ◽

Yanxiong Ke ◽

Jianfeng Cai ◽

Huanhuan Zhang ◽

Qing Fu ◽

...

Keyword(s):

Phenolic Compounds ◽

Supercritical Fluid ◽

Supercritical Fluid Chromatography ◽

Stationary Phases ◽

Solvation Energy ◽

Linear Solvation Energy Relationship ◽

Relationship Model ◽

Linear Solvation Energy ◽

Linear Solvation

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Can deep learning algorithms enhance the prediction of solute descriptors for linear solvation energy relationship approaches?

Fluid Phase Equilibria ◽

10.1016/j.fluid.2021.113349 ◽

2021 ◽

pp. 113349

Author(s):

Nadin Ulrich ◽

Andrea Ebert

Keyword(s):

Deep Learning ◽

Learning Algorithms ◽

Solvation Energy ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation ◽

Solute Descriptors

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Linear solvation energy relationship (LSER) characterization of the normal phase retention mechanism on hypercrosslinked polystyrenes

Journal of Chromatography A ◽

10.1016/j.chroma.2018.02.036 ◽

2018 ◽

Vol 1543 ◽

pp. 40-47

Author(s):

Di Wu ◽

Ping Jiang ◽

Charles A. Lucy

Keyword(s):

Solvation Energy ◽

Retention Mechanism ◽

Normal Phase ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Phase Retention ◽

Hypercrosslinked Polystyrenes ◽

Linear Solvation

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