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

by Üçyi itler, Sinan
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$65.99
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Üçyi itler, Sinan Global Optimization of Transferable Molecular Step Potentials - A combination of stochastic and gradient-based approaches
Üçyi itler, Sinan - Global Optimization of Transferable Molecular Step Potentials - A combination of stochastic and gradient-based approaches

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Description

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.

Contributors

Author:
Üçyi itler, Sinan

Further information

Biography Artist:
Sinan Üçyi itler was born on 12.10.1978 in Istanbul, Turkey. After earning his B.Sc. degree in Chemical Engineering in Bo aziçi Universtiy, Turkey, he has completed his M.Sc in Chemical Engineering in a joint project between University of Akron, Koç University and Bo aziçi Universtiy. Currently, he works in Turkish Petroleum Refinery.
Language:
English
Number of Pages:
84
Media Type:
Softcover
Publisher:
LAP Lambert Academic Publishing

Master Data

Product Type:
Paperback book
Package Dimensions:
0.22 x 0.15 x 0.005 m; 0.172 kg
GTIN:
09783838347646
DUIN:
23LOOBL2B40
$65.99
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