Prediction of thermophysical properties of acetate-based ionic liquids using semiempirical methods

Industrial and Engineering Chemistry Research

Volumn 52, Issue 27, 2013, Pages 9490-9496

  Ma, Xiao Xue ^a   Wei, Jie ^a   Zhang, Qiu Bo ^a   Tian, Fang ^a   Feng, Ying Ying ^a   Guan, Wei ^a  

^a LIAONING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL DATUM; H NMR SPECTROSCOPY; MOLAR REFRACTIONS; NEUTRALIZATION METHODS; POLARIZATION COEFFICIENTS; SEMI-EMPIRICAL METHODS; STANDARDADDITION METHOD (SAM); SURFACE FORMATION;

DIFFERENTIAL SCANNING CALORIMETRY; HYDROGEN BONDS; IMPURITIES; REFRACTIVE INDEX; SURFACE TENSION; THERMODYNAMIC PROPERTIES; VOLATILE FATTY ACIDS;

IONIC LIQUIDS;

EID: 84880019739     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie401130d     Document Type: Article

References (34)

1. Seddon, K. S. Ionic Liquids for Clean Technology J.Chem. Tech. Biotehol. 1997, 68, 351-356
2. 3COO] as an enzyme-'friendly' co-solvent for resolution of amino acids Asymmetry. 2006, 17, 2491-2498
3. Zang, H.-J.; Su, Q.-H.; Mo, Y.-M.; Cheng, B.-W.; Jun, S. Ionic liquid [EMIM]OAc under ultrasonic irradiation towards the first synthesis of trisubstituted imidazoles Ultrason. Sonochem. 2010, 17, 749-751
4. Moniruzzaman, M.; Tahara, Y.; Tamura, M.; Kamiyaab, N.; Goto, M. Ionic liquid-assisted transdermal delivery of sparingly soluble drugs Chem. Commun. 2010, 46, 1452-1454
5. Chakraborti, A. K.; Roy, S. R. On Catalysis by Ionic Liquids J. Am. Chem. Soc. 2009, 131, 6902-6903
6. Xu, A.-R.; Zhang, Y.-J.; Zhao, Y.; Wang, J.-J. Cellulose dissolution at ambient temperature: Role of preferential solvation of cations of ionic liquids by a cosolvent Carbohydr. Polym. 2013, 92, 540-544
7. nmim][Ala] (n = 2, 3, 4, 5, 6) J. Phys. Chem. B. 2008, 112, 7499-7505
8. Yang, J.-Z.; Zhang, Q.-G.; Wang, B.; Tong, J. Study on the properties of amino acid ionic liquid EMIGly J. Phys. Chem. B. 2006, 110, 22521-22524
9. nmim][OAc](n = 2, 3, 4, 5, 6)} J. Phys. Chem. B. 2011, 115, 12915-12920
10. 4 in Terms of Standard Addition Method Acta Chim. Sinica. 2007, 65, 655-659
11. Fukumoto, K.; Yoshizawa, M.; Ohno, H. New generation ionic liquids: cations derived from amino acids J. Am. Chem. Soc. 2005, 127, 2398-2399
12. Wilkes, J. S.; Levisky, J. A.; Wilson, R. A.; Hussey, C. L. Dialkylimidazolium Chloroaluminate Melts, A New Class of Room Temperature Ionic Liquids for Electrochemistry Spectroscopy and Systhesis Inorg. Chem. 1982, 21, 1263-1268
13. Huddleston, J. G.; Visser, A. E.; Reichert, W. M.; Willauer, H. D.; Broker, G. A.; Rogers, R. D. Characterization and comparison of hydrophilic and hydrophobic room temperature ionic liquids incorporating the imidazolium cation Green Chem. 2001, 3, 156-164
14. Lide, D. R. Handbook of Chemistry and Physics, 82 nd ed.; CRC Press: Boca Raton, FL, 2001-2002.
15. Freire, M. G.; Teles, A. R. R.; Rocha, M. A. A.; Schröder, B.; Neves, C. M. S. S.; Carvalho, P. J.; Evtuguin, D. V.; Santos, L. M. N. B. F.; Coutinho, J. A. P. Thermophysical Characterization of Ionic Liquids Able To Dissolve Biomass J. Chem. Eng. Data 2011, 56, 4813-4822
16. Almeida, H. F. D.; Passos, H.; Lopes-da-Silva, J. A.; Fernandes, A. M.; Freire, M. G.; Coutinho, J. A. P. Thermophysical Properties of Five Acetate-Based Ionic Liquids J. Chem. Eng. Data 2012, 57, 3005-3013
17. Glasser, L. Lattice and phase transition thermodynamics of ionic liquids Thermochim. Acta 2004, 421, 87-93
18. Adamson, A. W. Physical Chemistry of Surfaces, 3 rd ed.; John Wiley: New York, 1976, (translated by Gu, T. R. Science Press, Beijing, 1986).
19. Langmuir, I. Phenomena, Atoms and Molecules; Philosophical Library: New York, 1950; p 72-73.
20. Luo, H.; Baker, G. A.; Dai, S. Isothermogravimetric Determination of the Enthalpies of Vaporization of 1-Alkyl-3-methylimidazolium Ionic Liquids J.Phys. Chem B 2008, 112, 10077-10081
21. Rebelo, L. P. N.; Lopes, J. N. C.; Esperança, J. M. S. S.; Filipe, E.; Filipe, E. On the critical temperature, normal boiling point, and vapor pressure of ionic liquids J. Phys. Chem. B. 2005, 109, 6040-6043
22. Zaitsau, D. H.; Kabo, G. J.; Strechan, A. A.; Paulechka, Y. U. Experimental Vapor Pressures of 1-Alkey-3-methylimidazolium Bis (trifluoromethylsulfonyl) imides and a Correlation Scheme for Estimation of Vaporization Enthalpies of Ionic Liquids J. Phys. Chem. A. 2006, 110, 7303-7306
23. Krossing, I.; Slattery, J. M. Semi-Empirical Methods to Predict the Physical Properties of Ionic Liquids: An Overview of Recent Developments Z. Phys. Chem. 2006, 220 (10-11) 1343-1359
24. Li, J. G.; Hu, Y. F.; Sun, S. F.; Liu, Y. S.; Liu, Z. C. Densities and dynamic viscosities of the binary system (water + 1-hexyl-3-methylimidazolium bromide) at different temperatures J. Chem. Thermodyn. 2010, 42, 904-908
25. Preiss, U.; Bulut, S.; Krossing, I. In Silico Prediction of the Melting Points of Ionic Liquids from Thermodynamic Considerations: A Case Study on 67 Salts with a Melting Point Range of 337 C J. Phys. Chem. B. 2010, 114, 11133-11140
26. Deetlefs, M.; Seddon, K. R.; Shara, M. Predicting physical properties of ionic liquids Phys. Chem. Chem. Phys. 2006, 8, 642-649
27. Slattery, J. M.; Daguenet, C.; Dyson, P. J.; Schubert, T. J. S.; Krossing, I. How to predict the physical properties of ionic liquids: a volume-based approach Angew. Chem., Int. Ed. 2007, 46, 5384-5388
28. Preiss, U. P. R. M.; Slattery, J. M.; Krossing, I. In Silico Prediction of Molecular Volumes, Heat Capacities, and Temperature-Dependent Densities of Ionic Liquids Ind. Eng. Chem. Res. 2009, 48, 2290-2296
29. nmim][Ala] (n = 2, 3, 4, 5, 6) J. Phys. Chem. B 2008, 112, 7499-7505
30. Sugden, S. The variation of surface tension with temperature and some related functions J. Chem. Soc. Trans. 1924, 125, 32-41
31. Knotts, T. A.; Wilding, W. V.; Oscarson, J. L.; Rowley, R. L. Use of the DIPPR Database for development of QSPR correlations: Surface tension J. Chem. Eng. Data 2001, 46, 1007-1012
32. Ersfeld, B.; Felderhof, B. U. Retardation correction to the of lorentz-lorenz formula for the refractive index of a disordered system polarizable point dipoles Phys. Rev. 1998, E57, 1118-1126
33. Fang, D.-W. Studies on the properties of ionic liquids based on rare-scattered metal and amino acid. Ph.D. Dissertation, Xining Institute of Salt Lakes, Chinese Academy of Sciences, 2008.
34. Tripathi, R C J. Relation between index of refraction and surface tension Ind. Chem. Soc. 1941, 18, 411-427