Molecular-dynamic simulation of water vapor interaction with suffering pores of the cylindrical type

Nikonov E.G., Pavlus M., Popovičová M.
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List of references:

  1. K. Alim, Sh. Parsa, D. A. Weitz, M. P. Brenner. Local pore size correlations determine flow distributions in porous media // Phys. Rev. Lett. — 2017. — V. 119. — 144501. — DOI: 10.1103/PhysRevLett.119.144501. — ads: 2017PhRvL.119n4501A.
  2. I. V. Amirkhanov, E. Pavluˇsova, M. Pavluˇs, et al. Numerical solution of an inverse diffusion problem for the moisture transfer coefficient in a porous material // Materials and Structures. — 2008. — V. 41. — P. 335–344. — DOI: 10.1617/s11527-007-9246-9.
  3. A. V. Bitsadze, D. F. Kalinichenko. A Collection of Problems on The Equations of Mathematical Physics. — Mir Publishers, 1980. — MathSciNet: MR0581247.
  4. M. Bianchi Janetti. Moisture Absorption in Capillary Active Materials: Analytical Solution for a Multiple Step Diffusivity Function // Transp. Porous Med. — 2018. — V. 125, no. 3. — P. 633–645. — and references therein. — DOI: 10.1007/s11242-018-1143-x. — MathSciNet: MR3871643.
  5. Ch. K. Das, J. K. Singh. Melting transition of confined Lennard-Jones solids in slit pores // Theor. Chem. Acc. — 2013. — V. 132. — P. 1–13. — 1351. — DOI: 10.1007/s00214-013-1351-y.
  6. H. Gould, J. Tobochnik, W. Christian. An Introduction to Computer Simulation Methods. — 2005. — P. 267–268. — Chapter 8. — Third edition.
  7. D. Frenkel, B. Smith. Understanding molecular simulation: from algorithms to applications. — Academic Press, 2006. — 658 p. — Second edition.
  8. W. G. Hoover. Canonical dynamics: Equilibrium phase-space distributions // Phys. Rev. A. — 2005. — V. 31. — P. 1695— 1697. — DOI: 10.1103/PhysRevA.31.1695. — ads: 1985PhRvA..31.1695H.
  9. M. Krus. Moisture transport and storage coefficients of porous minearal building materials: Theoretical principals and new test method. — Stuttgart: Fraunhofer IRB Verlag, 1996. — 175 p.
  10. 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.
  11. E. G. Nikonov, M. Pavluˇs, M. Popoviˇcov´a. 2D microscopic and macroscopic simulation of water and porous material interaction. — 2017. — arXiv:1709.05878 [physics.flu-dyn]. — MathSciNet: MR2710425.
  12. E. G. Nikonov, M. Pavluˇs, M. Popoviˇcov´a. Molecular dynamic simulation of water vapor interaction with blind pore of dead-end and saccate type. — 2017. — arXiv:1708.06216 [physics.flu-dyn].
  13. S. Nos´e. A unified formulation of the constant temperature molecular dynamics methods // J. Chem. Phys. — 1984. — V. 81. — P. 511–519. — DOI: 10.1063/1.447334. — MathSciNet: MR1182263. — ads: 1984JChPh..81..511N.
  14. H. Pleinert, H. Sadouki, F. H. Wittmann. Determination of moisture distributions in porous building materials by neutron transmissions analysis // Materials and Structures. — 1998. — V. 31. — P. 218–224. — DOI: 10.1007/BF02480418.
  15. D. W. Siderius, L. D. Gelb. Extension of the Steele 10-4-3 potential for adsorption calculations in cylindrical, spherical, and other pore geometries // J. Chem. Phys. — 2011. — V. 135. — P. 1–7. — 084703. — DOI: 10.1063/1.3626804.
  16. L. Verlet. Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard – Jones molecules // Phys. Rev. — 1967. — V. 159. — P. 98–103.

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