Experimental and statistical mechanical studies of heats of dilution of alkanols in pyridine derivatives based on ab initio calculations of hydrogen bonding energies

Fluid Phase Equilibria

Volumn 248, Issue 2, 2006, Pages 123-133

  Heintz, Andreas ^a   Wandschneider, Dirk ^a   Lüning, Ulrich ^b   Marczak, Wojciech ^c  

^a UNIVERSITY OF ROSTOCK   (Germany)

^b UNIVERSITY OF KIEL   (Germany)

^c UNIVERSITY OF SILESIA   (Poland)

Author keywords

Ab initio calculations; ERAS model; H bonding; Statistical mechanics; Thermodynamics

Indexed keywords

DIMERIZATION; HYDROGEN BONDS; MIXING; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

ERAS MODEL; HEAT OF DILUTION; TETRAMERS;

ALCOHOLS;

ALCOHOLS; DIMERIZATION; HYDROGEN BONDS; MIXING; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

EID: 33748526534     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2006.07.004     Document Type: Article

References (39)

1. Heintz A. Ber. Bunsenges. Phys. Chem. 89 (1985) 172-181
2. Heintz A., Dolch E., and Lichtenthaler R.N. Fluid Phase Equilib. 27 (1986) 61-79
3. Costas M., Caceres-Alonso M., and Heintz A. Ber. Bunsenges. Phys. Chem. 91 (1987) 184-190
4. Funke H., Wetzel M., and Heintz A. Pure Appl. Chem. 61 (1989) 1429-1439
5. Kaur H., Samra N.S., Mahl B.S., Khumru J.R., Bender M., and Heintz A. Fluid Phase Equilib. 67 (1991) 241-257
6. Bender M., Hauser J., and Heintz A. Ber. Bunsenges. Phys. Chem. 95 (1991) 801-811
7. Reimann R., and Heintz A. J. Sol. Chem. 20 (1991) 29-37
8. Bender M., and Heintz A. Fluid Phase Equilib. 89 (1993) 197-215
9. Letcher T.M., Mercer-Chalmers J.M., Schnabel S., and Heintz A. Fluid Phase Equilib. 112 (1995) 131-149
10. Mohren S., and Heintz A. Fluid Phase Equilib. 133 (1997) 247-264
11. Heintz A., and Papaioannou D. Them. Chim. Acta 310 (1998) 69-76
12. Heintz A., Naicker P.K., Verevkin S.P., and Pfestorf R. Ber. Bunsenges. Phys. Chem. 102 (1998) 953-959
13. Bich E., Papaioannou D., Heintz A., Tusel-Langer E., and Lichtenthaler R.N. Fluid Phase Equilib. 156 (1999) 115-135
14. Bich E., Wandschneider D., Hensen U., Michalik M., and Heintz A. Phys. Chem. Chem. Phys. 4 (2002) 5827-5832
15. Wandschneider D., Michalik M., and Heintz A. J. Mol. Liquids 125 (2006) 2-13
16. Durov V.A., and Shilov I.Y. J. Mol. Liquids 92 (2001) 165-184
17. Durov V.A. J. Mol. Liquids 103/104 (2003) 41-82
18. Durov V.A. Pure Appl. Chem. 76 (2003) 1
19. Durov V.A., and Tereshin O.G. Fluid Phase Equilib. 210 (2003) 91-104
20. Durov V.A., Samios J., and Durov V.A. Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories, and Simulations, NATO Science Series. II, Mathematics, Physics and Chemistry (2004), Kluwer, Dortrecht 17-40
21. Marczak W., Heintz A., and Bucek M. J. Chem. Thermodyn. 36 (2004) 575-582
22. Lide D.R., and Kehiaian H.V. CRC Handbook of Thermophysical and Thermochemical Data (1994), CRC Press, Boca Raton 81-85
23. Wilhoit C., and Zwolinski B.J. J. Phys. Chem. Ref. Data 2 (1973) 1-420
24. Marczak W., Lehmann J.K., and Heintz A. J. Chem. Thermodyn. 35 (2003) 269-278
25. Gaussian 03, Revision B.04, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 2003.
26. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553-566
27. Rablen P.R., Lockmann J.W., and Jorgensen W.L. J. Phys. Chem. A 102 (1998) 3782-3797
28. Hobza P., and Havlas Z. Theor. Chem. Acc. 99 (1998) 372-377
29. D. Wandschneider, PhD-Thesis, University of Rostock, 2005.
30. Tucker E.E., and Christian S.D. J. Am. Chem. Soc. 97 (1975) 1269-1271
31. Asprion N., Hasse H., and Maurer G. Fluid Phase Equilib. 186 (2001) 1-25
32. V. Renker, R. Kopp, Thesis, Leipzig, 1969.
33. Sosnkowska-Kehiaian K., Recko W., and Woycicki W. Bull. Acad. Pol. Sci., Ser. Sci. Chim. 14 (1966) 475-479
34. Brown I., Fock W., and Smith F. J. Chem. Thermodyn. 1 (1969) 273-291
35. Recko W.M., Sadowska K.W., and Woycicka M.K. Bull. Acad. Pol. Sci., Ser. Sci. Chim. 19 (1971) 475-479
36. Belousov V.P., Zhigunov I.S., and Morachevskii A.G. Vestn. Leningr. Univ., Fiz., Khim. 416 (1961) 111
37. Kurtynina L.M., Smirnova N.A., and Andrukovich P.F. Khim. Thermodyn. Rastvorov 2 (1968) 43-52
38. Touhara H., Ikeda M., Nakanishi K., and Watanabe N. J. Chem. Thermodyn. 7 (1975) 887-893
39. Brown I., Fock W., and Smith F. Aust. J. Chem. 17 (1964) 1106-1118