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131 related items for PubMed ID: 32406446
1. Thermodynamics of mixing methanol with supercritical CO2 as seen from computer simulations and thermodynamic integration. Horváth RA, Horvai G, Idrissi A, Jedlovszky P. Phys Chem Chem Phys; 2020 May 28; 22(20):11652-11662. PubMed ID: 32406446 [Abstract] [Full Text] [Related]
2. Free energy of mixing of acetone and methanol: a computer simulation investigation. Idrissi A, Polok K, Barj M, Marekha B, Kiselev M, Jedlovszky P. J Phys Chem B; 2013 Dec 19; 117(50):16157-64. PubMed ID: 24164110 [Abstract] [Full Text] [Related]
3. Assessment of the potential models of acetone/CO2 and ethanol/CO2 mixtures by computer simulation and thermodynamic integration in liquid and supercritical states. Idrissi A, Vyalov I, Kiselev M, Jedlovszky P. Phys Chem Chem Phys; 2011 Sep 28; 13(36):16272-81. PubMed ID: 21833424 [Abstract] [Full Text] [Related]
4. Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation. Kiss B, Fábián B, Idrissi A, Szőri M, Jedlovszky P. J Phys Chem B; 2017 Jul 27; 121(29):7147-7155. PubMed ID: 28657740 [Abstract] [Full Text] [Related]
5. Thermodynamics of mixing water with dimethyl sulfoxide, as seen from computer simulations. Idrissi A, Marekha B, Barj M, Jedlovszky P. J Phys Chem B; 2014 Jul 24; 118(29):8724-33. PubMed ID: 25010123 [Abstract] [Full Text] [Related]
6. Modeling of mixing acetone and water: how can their full miscibility be reproduced in computer simulations? Pinke A, Jedlovszky P. J Phys Chem B; 2012 May 24; 116(20):5977-84. PubMed ID: 22524681 [Abstract] [Full Text] [Related]
7. Thermodynamics of Mixing Primary Alkanolamines with Water. Idrissi A, Jedlovszky P. J Phys Chem B; 2018 Jun 14; 122(23):6251-6259. PubMed ID: 29771130 [Abstract] [Full Text] [Related]
8. Calculation of the Free Energy of Mixing as a Tool for Assessing and Improving Potential Models: The Case of the N,N-Dimethylformamide-Water System. Honti B, Idrissi A, Jedlovszky P. J Phys Chem B; 2021 May 13; 125(18):4819-4830. PubMed ID: 33947181 [Abstract] [Full Text] [Related]
9. Association effects in pure methanol via Monte Carlo simulations. II. Thermodynamics. Gómez-Álvarez P, Romaní L, González-Salgado D. J Chem Phys; 2013 Jan 28; 138(4):044510. PubMed ID: 23387608 [Abstract] [Full Text] [Related]
10. Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100. Müller EA, Mejía A. J Phys Chem B; 2011 Nov 10; 115(44):12822-34. PubMed ID: 21932822 [Abstract] [Full Text] [Related]
11. Can existing models qualitatively describe the mixing behavior of acetone with water? Jedlovszky P, Idrissi A, Jancsó G. J Chem Phys; 2009 Mar 28; 130(12):124516. PubMed ID: 19334860 [Abstract] [Full Text] [Related]
14. Thermodynamic and kinetic models for the extraction of essential oil from savory and polycyclic aromatic hydrocarbons from soil with hot (subcritical) water and supercritical CO2. Kubátová A, Jansen B, Vaudoisot JF, Hawthorne SB. J Chromatogr A; 2002 Oct 25; 975(1):175-88. PubMed ID: 12458758 [Abstract] [Full Text] [Related]
15. Viabilty of atomistic potentials for thermodynamic properties of carbon dioxide at low temperatures. Kuznetsova T, Kvamme B. J Comput Chem; 2001 Nov 30; 22(15):1772-1781. PubMed ID: 12116410 [Abstract] [Full Text] [Related]
16. Modeling solubility of CO2/hydrocarbon gas in ionic liquid ([emim][FAP]) using Aspen Plus simulations. Bagchi B, Sati S, Shilapuram V. Environ Sci Pollut Res Int; 2017 Aug 30; 24(22):18106-18122. PubMed ID: 28631123 [Abstract] [Full Text] [Related]
18. Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an ab initio potential. Eskandari Nasrabad A, Laghaei R. J Chem Phys; 2006 Aug 28; 125(8):084510. PubMed ID: 16965032 [Abstract] [Full Text] [Related]
19. Binary phase behavior and aggregation of dilute methanol in supercritical carbon dioxide: a Monte Carlo simulation study. Stubbs JM, Siepmann JI. J Chem Phys; 2004 Jul 15; 121(3):1525-34. PubMed ID: 15260698 [Abstract] [Full Text] [Related]