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Molecular simulation of absolute hydration Gibbs energies of polar compounds

Author
GARRIDO, N. M1 2 ; QUEIMADA, A. J1 ; JORGE, M1 ; ECONOMOU, I. G2 3 ; MACEDO, E. A1
[1] LSRE - Laboratory of Separation and Reaction Engineering, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal
[2] Molecular Thermodynamics and Modeling of Materials Laboratory, Institute of Physical Chemistry, National Center for Scientific Research Demokritos, 15310, Aghia Paraskevi Attikis, Greece
[3] Petroleum Institute, Department of Chemical Engineering, PO Box 2533, Abu Dhabi, United Arab Emirates
Conference title
Selected Papers from the VIII IberoAmerican Conference on Phase Equilibria and Fluid Properties for Process Design (EQUIFASE 2009)
Conference name
IberoAmerican Conference on Phase Equilibria and Fluid Properties for Process Design (EQUIFASE 2009) (EQUIFASE 2009) (8 ; Praia da Rocha, Algarve 2009-10-17)
Author (monograph)
ARCE, Alberto (Editor)1 ; BRIGNOLE, Esteban A (Editor)2 ; MACEDO, Eugénia A (Editor)3 ; DE LOOS, Theo W (Editor)1
[1] Department of Chemical Engineering, University of Santiago de Compostela, Santiago de Compostela, Spain
[2] Planta Piloto de Ingeniería Química, Universidad Nacional del Sur, Bahía Blanca, Argentina
[3] LSRE-Laboratory of Separation & Reaction Engineering, Faculdade de Engenharia, Universidade do Porto, Porto, Portugal
Source

Fluid phase equilibria. 2010, Vol 296, Num 2, pp 110-115, 6 p ; ref : 57 ref

CODEN
FPEQDT
ISSN
0378-3812
Scientific domain
General chemistry, physical chemistry
Publisher
Elsevier, Amsterdam
Publication country
Netherlands
Document type
Conference Paper
Language
English
Author keyword
Gibbs hydration energy Molecular modeling Thermodynamic integration
Keyword (fr)
Chaleur hydratation Composé polaire Energie libre Gibbs Hydratation Intégration Modèle moléculaire Modélisation Propriété thermodynamique Valeur absolue
Keyword (en)
Heat of hydration Polar compound Gibbs free energy Hydration Integration Molecular model Modeling Thermodynamic properties Absolute value
Keyword (es)
Calor hidratación Compuesto polar Energía libre Gibbs Hidratación Integración Modelo molecular Modelización Propiedad termodinámica Valor absoluto
Classification
Pascal
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01E Chemical thermodynamics / 001C01E01 General. Theory

Discipline
General chemistry and physical chemistry
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
23139187

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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