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Molecular Simulation Volume 30, 2004 - Issue 6: Foundations of Molecular Modelling and Simulation—FOMMS 2003 (Part I)
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Original Articles

Prediction of Solubilities of Complex Medium-sized Chemicals. II. Solutes in Mixed Solvents

J. Abildskov Department of Chemical Engineering, Computer-Aided Process Engineering Center, Technical University of Denmark, Building 229, Søltofts Plads, Kgs, 2800, Lyngby, DenmarkCorrespondence[email protected]
&
J.P. O'Connell† Department of Chemical Engineering, University of Virginia, 102 Engineers' Way, P.O. Box, 22904-4741, Charlottesville, VA, USA
Pages 367-378 | Received 01 Jul 2003, Accepted 01 Nov 2003, Published online: 21 Aug 2006

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Xuechuan Nie, Jige Chen, Nan Sheng, Li Zeng, Haijun Yang & Chunlei Wang. (2017) Effect of water molecules on nanoscale wetting behaviour of molecular ethanol on hydroxylated SiO2 substrate. Molecular Simulation 43:13-16, pages 1377-1384.
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Articles from other publishers (14)

Sérgio M. Vilas-Boas, Paula Brandão, Mónia A.R. Martins, Liliana P. Silva, Tatiana B. Schreiner, Luciano Fernandes, Olga Ferreira & Simão P. Pinho. (2018) Solubility and solid phase studies of isomeric phenolic acids in pure solvents. Journal of Molecular Liquids 272, pages 1048-1057.
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Andrew S. Paluch & Edward J. Maginn. (2013) Efficient Estimation of the Equilibrium Solution-Phase Fugacity of Soluble Nonelectrolyte Solids in Binary Solvents by Molecular Simulation. Industrial & Engineering Chemistry Research 52:38, pages 13743-13760.
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Olga Ferreira & Simão P. Pinho. (2012) Solubility of Flavonoids in Pure Solvents. Industrial & Engineering Chemistry Research 51:18, pages 6586-6590.
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Fátima L. Mota, António J. Queimada, Alfonsina E. Andreatta, Simão P. Pinho & Eugénia A. Macedo. (2012) Calculation of drug-like molecules solubility using predictive activity coefficient models. Fluid Phase Equilibria 322-323, pages 48-55.
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Jens Abildskov & John P. O’Connell. (2011) Molecular Thermodynamic Modeling and Design of Microencapsulation Systems for Drug Delivery. Journal of Chemical & Engineering Data 56:4, pages 1229-1237.
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Thenmozhi Muthukumarasamy & Karunanithi Thiruganam. (2009) Modeling of polycyclic aromatic hydrocarbon SLE in aromatic solvents. Asia-Pacific Journal of Chemical Engineering 5:3, pages 517-526.
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Georgios M. Kontogeorgis & Georgios K. Folas. 2010. Thermodynamic Models for Industrial Applications. Thermodynamic Models for Industrial Applications 655 663 .
Georgios M. Kontogeorgis & Georgios K. Folas. 2010. Thermodynamic Models for Industrial Applications. Thermodynamic Models for Industrial Applications 613 654 .
Fátima L. Mota, Aristides P. Carneiro, António J. Queimada, Simão P. Pinho & Eugénia A. Macedo. (2009) Temperature and solvent effects in the solubility of some pharmaceutical compounds: Measurements and modeling. European Journal of Pharmaceutical Sciences 37:3-4, pages 499-507.
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Martin E. Ellegaard, Jens Abildskov & John P. O'Connell. (2009) Method for predicting solubilities of solids in mixed solvents. AIChE Journal 55:5, pages 1256-1264.
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Hassan Modarresi, Elisa Conte, Jens Abildskov, Rafiqul Gani & Peter Crafts. (2008) Model-Based Calculation of Solid Solubility for Solvent Selection—A Review. Industrial & Engineering Chemistry Research 47:15, pages 5234-5242.
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T. J. SheldonM. FolićC. S. Adjiman. (2006) Solvent Design Using a Quantum Mechanical Continuum Solvation Model. Industrial & Engineering Chemistry Research 45:3, pages 1128-1140.
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J. Abildskov & J.P. O’Connell. (2005) Thermodynamic method for obtaining the solubilities of complex medium-sized chemicals in pure and mixed solvents. Fluid Phase Equilibria 228-229, pages 395-400.
Crossref
J. Abildskov & J.P. O'Connell. 2005. European Symposium on Computer-Aided Process Engineering-15, 38th European Symposium of the Working Party on Computer Aided Process Engineering. European Symposium on Computer-Aided Process Engineering-15, 38th European Symposium of the Working Party on Computer Aided Process Engineering 217 222 .

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