2D microscopic and macroscopic simulation of water and porous material interaction

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List of references:

  1. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, J. R. Haak. Molecular dynamics with coupling to an external bath // J. Chem. Phys. — 1984. — V. 81. — P. 3684–3690. — DOI: 10.1063/1.448118.
  2. A. V. Bitsadze, D. F. Kalinichenko. A Collection of Problems on The Equations of Mathematical Physics. — Mir Publishers, 1980. — MathSciNet: MR0581247.
  3. Tepelnˇe technick´e vlastnosti stavebn´ıch konstrukc´ı a budov, Vydavatelstv´ı ´uˇradu pro normalizaci a mˇeˇren´ı. — P. 67. — ˇ CSN 730542. — Praha, schv´alen´a 4.3.1977, ´uˇcinnost od 1.1.1979.
  4. H. Gould, J. Tobochnik, W. Christian. An Introduction to Computer Simulation Methods. — Chapter 8. — 2005. — P. 267–268. — Third edition.
  5. D. Frenkel, B. Smith. Understanding molecular simulation: from algorithms to applications. — Academic Press, 2006. — 658 p. — Second edition.
  6. E. Hairer, C. Lubich, G. Wanner. Geometric Numerical Integration. — Springer, 2006. — Second edition. — MathSciNet: MR2221614.
  7. M. Krus. Moisture transport and storage coefficients of porous minearal building materials: Theoretical principals and new test method. — Stuttgart: Fraunhofer IRB Verlag, 1996. — P. 18.
  8. J. E. Lennard-Jones. On the Determination of Molecular Fields // Proc. Roy. Soc. — 1924. — V. A 106. — P. 463 — 477. — DOI: 10.1098/rspa.1924.0082.
  9. G. I. Marchuk. Handbook of numerical analysis, Vol. 1: Splitting and alternating direction methods. — North Holland, Amsterdam, 1990. — P. 197–462. — MathSciNet: MR1039325.
  10. A. D. McNaught, A. Wilkinson. IUPAC. Compendium of Chemical Terminology. — Oxford: Blackwell Scientific Publications, 1997. — 2nd ed. (the “Gold Book”).
  11. G. E. Norman, V. V. Stegailov. Stochastic theory of the classical molecular dynamics method // Math. Models Comput. Simul. — 2013. — V. 5, no. 4. — P. 305–333. — DOI: 10.1134/S2070048213040108. — MathSciNet: MR3026820.
  12. J. Rouquerol, D. Avnir, C. W. Fairbridge, D. H. Everett, J. H. Haynes, N. Pernicone, J. D. F. Ramsay, K. S. W. Sing, K. K. Unger. Recommendations for the Characterization of Porous Solids (Technical Report) // Pure and Appl. Chem. — 1994. — V. 66. — P. 1739–1758. — DOI: 10.1351/pac199466081739.
  13. A. A. Samarskii, P. N. Vabishchevich. Additive schemes for problems of mathematical physics. — Moscow: Nauka, 1999. — MathSciNet: MR1788271.
  14. International Bureau of Weights and Measures, International System of Units (SI). — 2006. — P. 114–115. — Eight edition.
  15. K. B. Shaytan, S. S. Saraykin. Molecular dynamics. — 1999. — http://www.library.biophys.msu.ru/MolDyn/ .
  16. L. Verlet. Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules // Phys. Rev. — 1967. — V. 159. — P. 98–103. — DOI: 10.1103/PhysRev.159.98.

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