Adsorption energetics of potassium sulfate dye inclusion crystals

Journal of Molecular Structure

Volumn 647, Issue 1-3, 2003, Pages 65-73

  Carter, Damien J ^a   Rohl, Andrew L ^a   Gale, Julian D ^b   Fogg, Andrew M ^a   Gurney, Richard W ^c   Kahr, Bart ^c  

^a CURTIN UNIVERSITY   (Australia)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF WASHINGTON   (United States)

Author keywords

Adsorption; Crystal growth; Mixed crystals; Molecular modeling; Potassium sulfate

Indexed keywords

2 AMINOBENZENESULFONATE; AROMATIC COMPOUND; DYE; POTASSIUM SULFATE; UNCLASSIFIED DRUG;

ADSORPTION KINETICS; CALCULATION; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; CRYSTAL STRUCTURE; MOLECULAR MODEL; SURFACE PROPERTY;

EID: 0037469565     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(02)00511-2     Document Type: Conference Paper

References (17)

1. B. Kahr, R.W. Gurney, Chem. Rev. 101 (2001) 893.
2. R.W. Gurney, C.A. Mitchell, S. Ham, L.D. Bastin, B. Kahr, J. Phys. Chem. B 104 (2000) 878.
3. A. Mauri, M. Moret, J. Crystallogr. Growth 208 (2000) 599.
4. M. Moret, M. Mater, Mater. Chem. Phys. 66 (2000) 177.
5. D.H. Gay, A.L. Rohl, J. Chem. Soc., Faraday Trans. 91 (1993) 925.
6. K. Ojima, Y. Nishihata, A. Sawada, Acta. Crystallogr., Sect. B 51 (1995) 287.
7. A.L. Rohl, N.L. Allan, D.H. Gay, C.R.A. Catlow, R.J. Davey, W.C. Mackrodt, J. Chem. Soc., Faraday Discuss. 95 (1993) 273.
8. MSI InsightII version 4.0, Molecular Simulations, San Diego, California, 1995.
9. MOPAC version 6.0, QCPE No. 455, Department of Chemistry, Indiana University, Bloomington, Indiana, 1990.
10. SPARTAN version 4.0, Wavefunction Inc. Irvine, California, 1996.
11. L.D. Bastin, B. Kahr, Tetrahedron (2000) 6633.
12. P. Hartman, C.S. Strom, J. Crystallogr. Growth 97 (1989) 502.
13. A.L. Rohl, D.H. Gay, R.J. Davey, C.R.A. Catlow, J. Am. Chem. Soc. 118 (1996) 642.
14. Discover version 3.0, Molecular Simulations, San Diego, California.
15. J.D. Gale, A.L. Rohl, S.D. Fleming, in press.
16. R.W. Gurney, PhD Dissertation, Purdue University, 2000.
17. P.V. Coveney, R.J. Davey, J.L.W. Griffin, Y. He, J.D. Hamlin, S. Stackhouse, A. Whiting, J. Am. Chem. Soc. 122 (2000) 11557.