Chemoinformatics

Chemoinformatics: advanced control & computational techniques

by Gilani, Hossein G. Haghi, Reza K. Samper, Katia G.

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Title Statements

  • Full title :Chemoinformatics : advanced control & computational techniques / [edited by] Hossein G. Gilani, Katia G. Samper and Reza K. Haghi.

Edition Statements

  • Publication Date:©2013.

Publication Statements

  • Publisher(s):Apple Academic Press
  • Place of Publication:Toronto
  • Language:eng
  • Publication Date:©2013.

The Physical Object

  • Description:viii, 204 pages : : illustrations ; : 25 cm

Edition Identifiers

  • ISBN:9781926895239, 1926895231
  • oclc:ocn771915328
  • LC Classification:QD39.3.E46
  • Dewey Decimal:542/.85

Table of Contents

1. A thermodynamic model for vapor-liquid equilibrium data for the two binary systems -- 2. Practical hints on measurement of densities and excess molar volumes -- 3. A mathematical model to control the liquid-liquid equilibrium data -- 4. Computer calculations for multicomponent vapor-liquid and liquid-liquid equilibria -- 5. Densities and refractive indices of the binary systems -- 6. Potential applications of artificial neural networks to thermodynamics -- 7. A note on application of non-random two-liquid (NRTL) model -- 8. Some practical hints on application of UNIQUAC solution model -- 9. Control of liquid membrane separation process -- 10. Development of artificial neural network (ANN) model for estimation of vapor liquid equilibrium (VLE) data -- 11. Some aspects of a fluid phase equilibria and UNIFAC model -- 12. Molecular thermodynamics process control in fluid-phase equilibria -- 13. Estimation of liquid-liquid equilibrium using artificial neural networks -- 14. Optimization of process control of water + propanoic acid+ 1-octanol system -- 15. Practical hints on optimization of UNIQUAC interaction parameters -- 16. A mathematical approach to control the water content of …

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Subjects

Cheminformatics Chimio-informatique Computational chemistry Phasengleichgewicht

Writers

Gilani, Hossein G. Haghi, Reza K. Samper, Katia G.

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