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Modelling adsorption of a water molecule into various pore structures of silica gel

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Abstract

Silica gel is widely used in commercial applications as a water adsorbent due to its properties including hydrothermally stable, high water sorption capacity, low regeneration temperature, low cost and wide range of pore diameters. Since the water sorption capacity of silica gel strongly depends on the pore size and structure, which can be controlled during synthesis, this paper study the effect of pore shapes and dimensions of silica gel upon the adsorption of a water molecule aiming at maximising the water sorption capacity. In particular, we consider three types of pore structures, namely cylindrical, square prismatic and conical pores. On using the Lennard-Jones potential and a continuum approximation, we find that the minimum radii for a water molecule to be accepted into cylindrical, square prismatic and conical pores are 4.009, 3.7898 and 4.4575 Å, respectively. For cylindrical and square prismatic pores, the critical radii which maximise the adsorption energy are 4.5189 and 4.1903 Å, respectively. Knowledge of these critical pore sizes may be useful for the manufacturing process of silica gel that will maximise the water sorption capacity.

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References

  1. Ng E.P., Mintova S.: Nanoporous materials with enhanced hydrophilicity and high water sorption capacity. Microporous Mesoporous Mater. 114, 1–26 (2008)

    Article  CAS  Google Scholar 

  2. Gomez J.M., Romero M.D., Hodaifa G., Parra E.: Adsorption of trypsin on commercial silica gel. Eng. Life. Sci. 9, 336–341 (2009)

    Article  CAS  Google Scholar 

  3. Losic D., Simovic S.: Self-ordered nanopore and nanotube platforms for drug delivery applications. Expert Opin. Drug Deliv. 6, 1363–1381 (2009)

    Article  CAS  Google Scholar 

  4. Vermeiren L., Devlieghere F., van Beest M., de Kruijf N., Debevere J.: Developments in the active packaging of foods. Trends Food Sci. Technol. 10, 77–86 (1999)

    Article  CAS  Google Scholar 

  5. Chase M.W., Hills H.H.: Silica gel: an ideal material for field preservation of leaf samples for DNA studies. Taxon 40, 215–220 (1991)

    Article  Google Scholar 

  6. Grivell A.R., Jackson J.F.: Microbial culture preservation with silica gel. J. Gen. Microb. 58, 423–425 (1969)

    CAS  Google Scholar 

  7. Ting I.P., Dugger W.M. Jr.: Separation and detection of organic acids on silica gel. Anal. Biochem. 12, 571–578 (1965)

    Article  CAS  Google Scholar 

  8. Huang H.Y., Yang R.T.: Amine-grafted mcm-48 and silica xerogel as superior sorbents for acidic gas removal from natural gas. Ind. Eng. Chem. Res. 42, 2427–2433 (2003)

    Article  CAS  Google Scholar 

  9. Pierre A.C.: The sol-gel encapsulation of enzymes. Biocat. Biotrans. 22, 145–170 (2004)

    Article  CAS  Google Scholar 

  10. Srivastava N.C., Eames I.W.: A review of adsorbents and adsorbates n solid vapour adsorption heat pump systems. Appl. Therm. Eng. 18, 707–714 (1998)

    Article  CAS  Google Scholar 

  11. Naono H., Fujiwara R., Yagi M.: Determination of physisorbed and chemisorbed waters on silica gel and porous silica glass by means of desorption isotherms of water vapor. J. Colloid Interface Sci. 76, 74–82 (1980)

    Article  CAS  Google Scholar 

  12. Girifalco L.A., Hodak M., Lee R.S.: Carbon nanotubes, buckyballs, ropes, and a universal graphitic potential. Phys. Rev. B 62, 13 104–13 110 (2000)

    Article  CAS  Google Scholar 

  13. Cox B.J., Thamwattana N., Hill J.M.: Mechanics of atoms and fullerenes in single-walled carbon nanotubes. I. acceptance and suction energies. Proc. R. Soc. A 463, 461–476 (2007)

    Article  CAS  Google Scholar 

  14. Cox B.J., Thamwattana N., Hill J.M.: Mechanics of atoms and fullerenes in single-walled carbon nanotubes. II. oscillatory behaviour. Proc. R. Soc. A 463, 477–494 (2007)

    Article  CAS  Google Scholar 

  15. Hagymassy J. Jr., Brunauer S., Mikhail R.Sh.: Pore structure analysis by water vapor adsorption: I. t-curves for water vapor. J. Colloid Interface Sci. 29, 485–491 (1969)

    Article  CAS  Google Scholar 

  16. Dawoud B., Aristov Y.: Experimental study on the kinetics of water vapor sorption on selective water sorbents, silica gel and alumina under typical operating conditions of sorption heat pumps. Int. J. Heat Mass Transf. 46, 273–281 (2003)

    Article  CAS  Google Scholar 

  17. Chua H.T., Ng K.C., Chakraborty A., Oo N.M., Othman M.A.: Adsorption characteristics of silica gel + water systems. J. Chem. Eng. Data 47, 1177–1181 (2002)

    Article  CAS  Google Scholar 

  18. Fouzri A., Dorbez-Sridi R., Oumezzine M.: Water confined in silica gel and in vycor glass at low and room temperature, x-ray diffraction study. J. Chem. Phys. 116, 791–797 (2002)

    Article  CAS  Google Scholar 

  19. Hirschfelder J.O., Curtiss C.F., Bird R.B.: Molecular theory of gases and liquids. Wiley, London (1954)

    Google Scholar 

  20. Gradshteyn I.S., Ryzhik I.M.: Table of Integrals, Series, and Products. 6th edn. Academic Press, London (2000)

    Google Scholar 

  21. Baowan D., Hill J.M.: Equilibrium locations for nested carbon nanocones. J. Math. Chem. 43, 1489–1504 (2008)

    Article  CAS  Google Scholar 

  22. Reid R.C., Prausnitz J.M., Poling B.E.: The properties of gases & liquids. 4th edn. McGraw-Hill, New york (1987)

    Google Scholar 

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Authors and Affiliations

  1. Department of Mathematics, Faculty of Science, Mahidol University, Rama VI Rd., Bangkok, 10400, Thailand

    D. Baowan

  2. Centre of Excellence in Mathematics, CHE, Si Ayutthaya Rd., Bangkok, 10400, Thailand

    D. Baowan

  3. Nanomechanics Group, School of Mathematics and Applied Statistics, University of Wollongong, Wollongong, NSW, 2522, Australia

    N. Thamwattana

Authors
  1. D. Baowan
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  2. N. Thamwattana
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Correspondence to D. Baowan.

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Baowan, D., Thamwattana, N. Modelling adsorption of a water molecule into various pore structures of silica gel. J Math Chem 49, 2291–2307 (2011). https://doi.org/10.1007/s10910-011-9887-3

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  • DOI: https://doi.org/10.1007/s10910-011-9887-3

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