Skip to main content
SpringerLink
Log in

Molecular dynamic studies on Langmuir monolayers of stearic acid

  • Published:
Chemical Research in Chinese Universities Aims and scope

Abstract

Compression isotherm for stearic acid was obtained by means of molecular dynamic simulation and compared to experimentally measured values for the Langmuir monolayers. Compared to the previous simulation, the present simulation has provided a method to reproduce the compression of the monolayer. The result is consistent with other experimental results. By analyzing the alkyl tails, the configuration of stearic acid molecules during the compression process was studied and a uniform monolayer was obtained after compression. Stearic acid molecules were observed to form fine organized monolayer from completely random structure. Hexatic order of the arrangement has been identified for the distribution of stearic acid molecules in the monolayer. At the end of the compression, the stearic acid molecules were tightly packed in the gap of two other molecules. At last, the hydrogen bonds in the system were analyzed. The main hydrogen bonds were from stearic acid-water interaction and their intensities constantly decreased with the decreased of surface area per molecule. The weak hydrogen bond interaction between stearic acid molecules may be the reason of easy collapse.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

Reference

  1. Sanassy P., Evans S. D., Langmuir, 1993, 9, 1024

    Article  CAS  Google Scholar 

  2. Cayci D., Stanciu S. G., Capan I., Erdogan M., Guner B., Hristu R., Stanciu G. A., Sensor Actuat B, Chem., 2011, 158, 62

    Article  CAS  Google Scholar 

  3. Graf K., Riegler H., Colloids Surf. A, 1998, 131, 215

    Article  CAS  Google Scholar 

  4. Petty M. C., Langmuir-Blodgett Films: An Introduction, Cambridge University Press, Cambridge, 1996

    Book  Google Scholar 

  5. George L. Gaines, Insoluble Monolayers at Liquid-gas Interface, Interscience, New York, 1966

    Google Scholar 

  6. Cao Z., Chen Q., Wang C., Ren Y., Liu H., Hu Y., Colloids Surf. A, 2011, 377, 130

    Article  CAS  Google Scholar 

  7. Song E., Shi C., Anson F. C., Langmuir, 1998, 14, 4315

    Article  CAS  Google Scholar 

  8. Dunbar A. D. F., Richardson T. H., McNaughton A. J., Hutchinson J., Hunter C. A., J. Phys. Chem. B, 2006, 110, 16646

    Article  CAS  Google Scholar 

  9. Schmidtke J. P., Friend R. H., Kastler M., Mullen K., J. Chem. Phys., 2006, 124, 174704

    Article  Google Scholar 

  10. Ferreira M., Constantino C. J. L., Olivati C. A., Balogh D. T., Aroca R. F., Faria R. M., Oliveira O. N. Jr., Polymer, 2005, 46, 5140

    Article  CAS  Google Scholar 

  11. de Luca G., Pollicino G., Romeo A., Scolaro L. M., Chem. Mater., 2006, 18, 2005

    Article  Google Scholar 

  12. Rana A. F., Frank J. M., J. Chem. Phys., 1973, 59, 5529

    Article  Google Scholar 

  13. Ignes-Mullol J., Claret J., Reigada R., Sagues F., Phys. Rep., 2007, 448, 163

    Article  CAS  Google Scholar 

  14. Tanaka H., Kunai Y., Sato N., Matsuyama T., J. Colloid Interface Sci., 2011, 363, 440

    Article  CAS  Google Scholar 

  15. Su A., Tan S., Thapa P., Flanders B. N., Ford W. T., J. Phys. Chem. C, 2007, 111, 4695

    Article  CAS  Google Scholar 

  16. Ghaicha L., Chattopadhyay A. K., Tajmir-Riahi H. A., Langmuir, 1991, 7, 2007

    Article  CAS  Google Scholar 

  17. Yazdanian M., Yu H., Zografi G., Langmuir, 1990, 6, 1093

    Article  CAS  Google Scholar 

  18. Hwang M. J., Kim K., Langmuir, 1999, 15, 3563

    Article  CAS  Google Scholar 

  19. Munden J. W., Blois D. W., Swarbrick J., J. Pharm. Sci., 1969, 58, 1308

    Article  CAS  Google Scholar 

  20. Houmadi S., Ciuchi F., de Santo M. P., de Stefano L., Rea I., Giardina P., Armenante A., Lacaze E., Giocondo M., Langmuir, 2008, 24, 12953

    Article  CAS  Google Scholar 

  21. Nayak A., Suresh K. A., Kumar Pal S., Kumar S., J. Phys. Chem. B, 2007, 111, 11157

    Article  CAS  Google Scholar 

  22. Liu M. T., Pu M. F., Ma H. W., Chem. J. Chinese Universities, 2012, 33(6), 1319

    Google Scholar 

  23. Moghaddam B., Ali M. H., Wilkhu J., Kirby D. J., Mohammed A. R., Zheng Q., Perrie Y., Int. J. Pharm., 2011, 417, 235

    Article  CAS  Google Scholar 

  24. Shi W. X., Guo H. X., J. Phys. Chem. B, 2010, 114, 6365

    Article  CAS  Google Scholar 

  25. Javanainen M., Monticelli L., de la Serna J. B., Vattulainen I., Langmuir, 2010, 26, 15436

    Article  CAS  Google Scholar 

  26. Henry D. J., Dewan V. I., Prime E. L., Qiao G. G., Solomon D. H., Yarovsky I., J. Phys. Chem. B, 2010, 114, 3869

    Article  CAS  Google Scholar 

  27. Giner-Casares J. J., Camacho L., Martin-Romero M. T., Lopez Cascales J. J., Langmuir, 2008, 24, 1823

    Article  CAS  Google Scholar 

  28. Knobler C. M., Advances in Chemical Physics, John Wiley & Sons, Inc., New York, 2007, 397

    Google Scholar 

  29. Langmuir I., J. Am. Chem. Soc., 1917, 39, 1848

    Article  CAS  Google Scholar 

  30. Griffith E. C., Adams E. M., Allen H. C., Vaida V., J. Phys. Chem. B, 2012, 116, 7849

    Article  CAS  Google Scholar 

  31. Shaitan K. V., Pustoshilov P. P., Biophysics, 1991, 44, 429

    Google Scholar 

  32. Okamura E., Fukushima N., Hayashi S., Langmuir, 1999, 15, 3589

    Article  CAS  Google Scholar 

  33. Lee Y. L., Yang Y. C., Shen Y. J., J. Phys. Chem. B, 2005, 109, 4662

    Article  CAS  Google Scholar 

  34. Moller M. A., Tildesley D. J., Kim K. S., Quirke N., J. Chem. Phys., 1991, 94, 8390

    Article  CAS  Google Scholar 

  35. Berendsen H. J. C., Postma J. P. M., van Gunsteren W. F., Hermans J., Intermolecular Forces, 1981, 331

    Book  Google Scholar 

  36. Feng C., Paul E. S., J. Chem. Phys., 2007, 126, 221101

    Article  Google Scholar 

  37. Abascal J. L. F., Vega C., J. Chem. Phys., 2005, 123, 234505

    Article  CAS  Google Scholar 

  38. Jose A., Gustavo A. C., J. Chem. Phys., 2010, 132, 014701

    Article  Google Scholar 

  39. Jorgensen W. L., Maxwell D. S., Tirado Rives J., J. Am. Chem. Soc., 1996, 118, 11225

    Article  CAS  Google Scholar 

  40. Jorgensen W. L., Chandrasekhar J., Madura J. D., Impey R. W., Klein M. L., J. Chem. Phys., 1983, 79, 926

    Article  CAS  Google Scholar 

  41. Berendsen H. J. C., Vanderspoel D., Vandrunen R., Comput. Phys. Commun., 1995, 91, 43

    Article  CAS  Google Scholar 

  42. Lindahl E., Hess B., van der Spoel D., J. Mol. Model., 2001, 7, 306

    CAS  Google Scholar 

  43. van der Spoel D., Lindahl E., Hess B., Groenhof G., Mark A. E., Berendsen H. J. C., J. Comput. Chem., 2005, 26, 1701

    Article  Google Scholar 

  44. Hess B., Kutzner C., van der Spoel D., Lindahl E., J. Chem. Theory Comput., 2008, 4, 435

    Article  CAS  Google Scholar 

  45. Tom D., Darrin Y., Lee P., J. Chem. Phys., 1993, 98, 10089

    Article  Google Scholar 

  46. Bussi G., Donadio D., Parrinello M., J. Chem. Phys., 2007, 126, 014101

    Article  Google Scholar 

  47. Harris J. G., J. Phys. Chem., 1992, 96, 5077

    Article  CAS  Google Scholar 

  48. Kaminski G. A., Friesner R. A., Tirado Rives J., Jorgensen W. L., J. Phys. Chem. B, 2001, 105, 6474

    Article  CAS  Google Scholar 

  49. Marcus G. M., Fluid Phase Equilib., 2006, 248, 50

    Article  Google Scholar 

  50. Humphrey W., Dalke A., Schulten K., J. Mol. Graphics Modell, 1996, 14, 33

    Article  CAS  Google Scholar 

  51. Ghosh S., Il Nuovo Cimento D, 1984, 4, 229

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130021, P. R. China

    Chui-peng Kong, Hong-xing Zhang, Zeng-xia Zhao & Qing-chuan Zheng

Authors
  1. Chui-peng Kong
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Hong-xing Zhang
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Zeng-xia Zhao
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Qing-chuan Zheng
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Hong-xing Zhang.

Additional information

Supported by the National Natural Science Foundation of China(No.20973076) and the Fund of China Scholarship Council(No. 2010617085).

Electronic supplementary material

Rights and permissions

Reprints and permissions

About this article

Cite this article

Kong, Cp., Zhang, Hx., Zhao, Zx. et al. Molecular dynamic studies on Langmuir monolayers of stearic acid. Chem. Res. Chin. Univ. 29, 545–550 (2013). https://doi.org/10.1007/s40242-013-2301-x

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s40242-013-2301-x

Keywords

Search

Navigation