Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants

Journal of Colloid and Interface Science

Volumn 410, Issue , 2013, Pages 140-145

  Truszkowski, Andreas ^a,c   Epple, Matthias ^a   Fiethen, Annamaria ^a,b   Zielesny, Achim ^c   Kuhn, Hubert ^a,b  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

^b CAM D Technologies   (Germany)

^c WESTPHALIAN UNIVERSITY OF APPLIED SCIENCES   (Germany)

Author keywords

Computer simulation; Critical micelle concentration; Dissipative particle dynamics; Molecular fragment dynamics; Water air interface

Indexed keywords

DISSIPATIVE PARTICLE DYNAMICS; MESOSCOPIC SIMULATION TECHNIQUE; MOLECULAR FRAGMENT DYNAMICS; NANOSCALE STRUCTURE; POLYOXYETHYLENE ALKYL ETHER; PREDICTIVE TECHNIQUES; SURFACTANT CONCENTRATIONS; WATER-AIR INTERFACE;

COMPUTER SIMULATION; CRITICAL MICELLE CONCENTRATION; POLYETHYLENE OXIDES;

DYNAMICS;

DIMETHYL ETHER; METHANE; METHANOL; NANOMATERIAL; NITROGEN; OXYGEN; POLYOXYETHYLENE ALKYL ETHER;

ARTICLE; CHEMICAL PARAMETERS; CRITICAL MICELLE CONCENTRATION; DENSITY; HYDRODYNAMICS; MICELLIZATION; MOLECULAR DYNAMICS; MOLECULAR FRAGMENT DYNAMICS; PRIORITY JOURNAL; SURFACE PROPERTY; SURFACE TENSION; WATER AIR INTERFACE;

COMPUTER SIMULATION; CRITICAL MICELLE CONCENTRATION; DISSIPATIVE PARTICLE DYNAMICS; MOLECULAR FRAGMENT DYNAMICS; WATER-AIR INTERFACE;

AIR; MOLECULAR DYNAMICS SIMULATION; POLYETHYLENE GLYCOLS; SURFACE-ACTIVE AGENTS; WATER;

EID: 84884206444     PISSN: 00219797     EISSN: 10957103     Source Type: Journal    
DOI: 10.1016/j.jcis.2013.07.069     Document Type: Article

References (37)

1. Wagner G. Waschmittel: Chemie Umwelt Nachhaltigkeit 2010, Wiley-VCH Verlag GmbH & Co.
2. Rosen M. Surfactants and interfacial phenomena 2004, John Wiley & Sons.
3. Brezesinski G., Moegel H.-J. Grenzflächen und Kolloide 1993, Spektrum Akademischer Verlag.
4. Berthod A., Tomer S., Dorsey J.G. Talanta 2001, 55:69-83.
5. Haan S., Pratt L. Chemical Physics Letters 1981, 79:436-440.
6. Ulrich S., Seijo M., Stoll S. The Journal of Physical Chemistry B 2007, 111:8459-8467.
7. van Gusteren W.F., Berendsen H.J.C. Angewandte Chemie. International Edition 1990, 29:992-1023.
8. Hoogerbrugge P., Koelman J. EPL (Europhysics Letters) 1992, 19:155-160.
9. Koelman J., Hoogerbrugge P. EPL (Europhysics Letters) 1993, 21:363-368.
10. Vishnyakov A., Lee M.-T., Neimark A.V. The Journal of Physical Chemistry Letters 2013, 4:797-802.
11. Schulz S.G., Kuhn H., Schmid G., Mund C., Venzmer J. Colloid and Polymer Science 2004, 283:284-290.
12. Ryjkina E., Kuhn H., Rehage H., Müller F., Peggau J. Angewandte Chemie. International Edition 2002, 41:983-986.
13. Ginzburg V.V., Chang K., Jog P.K., Argenton A.B., Rakesh L. The Journal of Physical Chemistry B 2011, 115:4654-4661.
14. Li Y., Zhang H., Bao M., Wang Z. Computational Materials Science 2012, 63:154-162.
15. Fan H., Striolo A. Physical Review E 2012, 86:051610.
16. Li Z.Q., He X.J., Li Y., Ma B.M., Cao X.L., Song X.W., Cui X.H. Acta Chimica Sinica 2007, 65:2803-2808.
17. Li Y., He X., Cao X., Zhao G., Tian X., Cui X. Journal of Colloid and Interface Science 2007, 307:215-220.
18. Li Y., Zhang P., Dong F.-L., Cao X.-L., Song X.-W., Cui X.-H. Journal of Colloid and Interface Science 2005, 290:275-280.
19. Gezae Daful A., Baulin V., Bonet Avalos J., Mackie A.D. The Journal of Physical Chemistry B 2011, 115:3434-3443.
20. Jusufi A., Sanders S., Klein M.L., Panagiotopoulos A.Z. The Journal of Physical Chemistry B 2011, 115:990-1001.
21. Velinova M., Sengupta D., Tadjer A.V., Marrink S.-J. Langmuir 2011, 27:14071-14077.
22. Guo X.D., Zhang L.J., Wu Z.M., Qian Y. Macromolecules 2010, 43:7839-7844.
23. Groot R.D., Warren P.B. The Journal of Chemical Physics 1997, 107:4423-4435.
24. Elworthy P., MacFarlane C. Journal of Pharmacy and Pharmacology 1965, 20:65-82.
25. Flekkoy E.G., Coveney P.V. Physical Review Letters 1999, 83:1775-1778.
26. Frenkel D., Smit B. Understanding Molecular Simulation: From Algorithms to Applications (Computational Science) 2002, Academic Press, Inc.
27. Espanol P., Warren P. EPL (Europhysics Letters) 1995, 30:191-196.
28. Brini E., Algaer E., Ganguly P., Li C., Rodríguez-Ropero F., van der Vegt N.F.a. Soft Matter 2013, 9:2108-2119.
29. Jacobson S.H., Gordon D.J., Nelson G.V., Balazs A. Advanced Materials 1992, 4:198-205.
30. Fan C.F., Olafson B.D., Blanco M., Hsu S.L. Macromolecules 1992, 25:3667-3676.
31. Blanco M. Journal of Computational Chemistry 1991, 12:237-247.
32. Schulz S., Kuhn H., Schmid G. Materials Research Society 2004, 788.
33. Sun H. The Journal of Physical Chemistry B 1998, 102:7338-7364.
34. MFD-FormulaOne, pre-release, version 1.0.0.28. MFD-FormulaOne is a product of CAM-D Technologies GmbH (www.molecular-dynamics.de) and GNWI - Gesellschaft fuer naturwissenschaftliche Informatik mbH (www.gnwi.de), http://www.mfd-formulaOne.de, 2013.
35. Walton J., Tildesley D., Rowlinson J., Henderson J. Molecular Physics 1983, 48:1357-1368.
36. Pagonabarraga I. EPL (Europhysics Letters) 1998, 42:377-382.
37. Pagonabarraga I., Frenkel D. The Journal of Chemical Physics 2001, 115:5015-5027.