Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS

GHOSH, Sumon Kumar; Ahameed, Sayem; ISLAM, Shafiqul

doi:10.20528/cjcrl.2021.03.002

Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS

Shafiqul ISLAM, (Rajshahi University of Engineering & Technology, Department of Civil Engineering, Bangladesh)

Sayem AHMEED, (Rajshahi University of Engineering & Technology, Department of Civil Engineering, Bangladesh)

Sumon Kumar GHOSH (Rajshahi University of Engineering & Technology, Department of Civil Engineering, Bangladesh)

Challenge Journal of Concrete Research Letters

5 0

Yıl: 2021 Cilt: 12 Sayı: 3 Sayfa Aralığı: 88 - 95 Metin Dili: İngilizce DOI: 10.20528/cjcrl.2021.03.002 İndeks Tarihi: 22-01-2022

Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS

Öz:

As for the communication between concrete and the particles, the surface shows Cl−shock and Na adsorption. With expanded particle focus, the solid adsorption capacityfor Cl− is upgraded as a result of a detailed overview of the dynamic molecular simu lation studies examining the chloride diffusion coefficient. Different characteristicsof the diffusion process, including molecular models, system-size effects, tempera ture, and pressure conditions, and the type of protection, are discussed. This paperfocus on Molecular Dynamic Simulation to determine the diffusion coefficient of chlo ride ion and water molecules in concrete. The diffusion coefficient for NaCl salt ob tained 6.60178x$10^{-10}$$m^2$/s and the diffusion coefficient for $CaCl_2$ salt obtained7.29305x$10^{-10}$$m^2$/s. So, the average chloride diffusion coefficient 6.9475x$10^{-10}$$m^2$/s.Diffusion coefficient obtained from graph 5.562x$10^{-10}$$m^2$/s. Diffusion coefficients forwater molecules for NaCl solution are 6.125x$10^{-10}$$m^2$/s, 6.85x$10^{-10}$$m^2$/s, 1.044x$10^{-10}$$m^2$/s, 8.525x$10^{-10}$$m^2$/s, 6.25x$10^{-10}$$m^2$/s. diffusion coefficient of water molecules inCaCl2 solution are 4.5x10-10$m^2$/s, 6.725x10-10$m^2$/s, 1.254x10-10$m^2$/s, 7.725x$10^{-10}$$m^2$/s, 1.3x$10^{-10}$$m^2$/s. Average value obtained for water molecule diffusion are4.545x$10^{-10}$$m^2$/s, 7.4062x$10^{-10}$$m^2$/s and 1.149x$10^{-10}$$m^2$/s. This diffusion of chlorideeffects the binding of water in concrete pore.

Anahtar Kelime:

Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık

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APA	ISLAM S, Ahameed S, GHOSH S (2021). Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. , 88 - 95. 10.20528/cjcrl.2021.03.002
Chicago	ISLAM Shafiqul,Ahameed Sayem,GHOSH Sumon Kumar Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. (2021): 88 - 95. 10.20528/cjcrl.2021.03.002
MLA	ISLAM Shafiqul,Ahameed Sayem,GHOSH Sumon Kumar Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. , 2021, ss.88 - 95. 10.20528/cjcrl.2021.03.002
AMA	ISLAM S,Ahameed S,GHOSH S Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. . 2021; 88 - 95. 10.20528/cjcrl.2021.03.002
Vancouver	ISLAM S,Ahameed S,GHOSH S Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. . 2021; 88 - 95. 10.20528/cjcrl.2021.03.002
IEEE	ISLAM S,Ahameed S,GHOSH S "Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS." , ss.88 - 95, 2021. 10.20528/cjcrl.2021.03.002
ISNAD	ISLAM, Shafiqul vd. "Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS". (2021), 88-95. https://doi.org/10.20528/cjcrl.2021.03.002

APA	ISLAM S, Ahameed S, GHOSH S (2021). Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. Challenge Journal of Concrete Research Letters, 12(3), 88 - 95. 10.20528/cjcrl.2021.03.002
Chicago	ISLAM Shafiqul,Ahameed Sayem,GHOSH Sumon Kumar Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. Challenge Journal of Concrete Research Letters 12, no.3 (2021): 88 - 95. 10.20528/cjcrl.2021.03.002
MLA	ISLAM Shafiqul,Ahameed Sayem,GHOSH Sumon Kumar Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. Challenge Journal of Concrete Research Letters, vol.12, no.3, 2021, ss.88 - 95. 10.20528/cjcrl.2021.03.002
AMA	ISLAM S,Ahameed S,GHOSH S Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. Challenge Journal of Concrete Research Letters. 2021; 12(3): 88 - 95. 10.20528/cjcrl.2021.03.002
Vancouver	ISLAM S,Ahameed S,GHOSH S Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS. Challenge Journal of Concrete Research Letters. 2021; 12(3): 88 - 95. 10.20528/cjcrl.2021.03.002
IEEE	ISLAM S,Ahameed S,GHOSH S "Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS." Challenge Journal of Concrete Research Letters, 12, ss.88 - 95, 2021. 10.20528/cjcrl.2021.03.002
ISNAD	ISLAM, Shafiqul vd. "Diffusion study of chloride and binding of water in concrete poreby molecular dynamics simulation using LAMMPS". Challenge Journal of Concrete Research Letters 12/3 (2021), 88-95. https://doi.org/10.20528/cjcrl.2021.03.002