Global Optimization of Transferable Molecular Step Potentials: A combination of stochastic and gradient-based approaches - Softcover

Üçyi?itler, Sinan

 
9783838347646: Global Optimization of Transferable Molecular Step Potentials: A combination of stochastic and gradient-based approaches
Softcover
ISBN 10: 3838347641 ISBN 13: 9783838347646
Verlag: LAP Lambert Academic Publishing, 2010

Inhaltsangabe

Thermodynamic properties of organic compounds can be estimated using the intermolecular forces between the building blocks. The building blocks for hydrocarbons and oxygenated compounds are grouped in a similar manner to UNIFAC and intermolecular potentials of these sites are optimized to minimize the error in vapor pressure estimation for a wide range of dataset. Different models for force field and optimization algorithms are compared using information criteria and the results for intermolecular potentials are tabulated for the most promising force models.

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Über die Autorin bzw. den Autor

Sinan Üçyi¿itler was born on 12.10.1978 in Istanbul, Turkey. After earning his B.Sc. degree in Chemical Engineering in Böaziçi Universtiy, Turkey, he has completed his M.Sc in Chemical Engineering in a joint project between University of Akron, Koç University and Böaziçi Universtiy. Currently, he works in Turkish Petroleum Refinery.

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Verlag
LAP Lambert Academic Publishing
Erscheinungsdatum
2010
Sprache
Englisch
ISBN 10 
3838347641
ISBN 13 
9783838347646
Einband
Taschenbuch
Anzahl der Seiten
84
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
Edicoes Nosso Conhecimento
customerservice@vdm-vsg.de

SIA
Riga
1039
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