Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions

Standard

Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions. / Rudyak, V. Ya; Lezhnev, E. V.

In: Nanosystems: Physics, Chemistry, Mathematics, Vol. 11, No. 3, 06.2020, p. 285-293.

Research output: Contribution to journal › Article › peer-review

Harvard

Rudyak, VY & Lezhnev, EV 2020, 'Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions', Nanosystems: Physics, Chemistry, Mathematics, vol. 11, no. 3, pp. 285-293. https://doi.org/10.17586/2220-8054-2020-11-3-285-293

APA

Rudyak, V. Y., & Lezhnev, E. V. (2020). Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions. Nanosystems: Physics, Chemistry, Mathematics, 11(3), 285-293. https://doi.org/10.17586/2220-8054-2020-11-3-285-293

Vancouver

Rudyak VY, Lezhnev EV. Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions. Nanosystems: Physics, Chemistry, Mathematics. 2020 Jun;11(3):285-293. doi: 10.17586/2220-8054-2020-11-3-285-293

Author

Rudyak, V. Ya ; Lezhnev, E. V. / Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions. In: Nanosystems: Physics, Chemistry, Mathematics. 2020 ; Vol. 11, No. 3. pp. 285-293.

BibTeX

@article{265b3ece95414b3da71c3ee124fc686b,

title = "Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions",

abstract = "The subject of this paper is the stochastic molecular modelling of the transport coefficients for rarefied gases and gas nanosuspensions. The proposed method is an alternative one to the molecular dynamics method. However, unlike the latter, the phase trajectories of the molecular system are simulated stochastically. Adequate integral characteristics of the studied system are obtained by averaging the calculated data over independent phase trajectories. The efficiency of the proposed algorithm is demonstrated by calculation of the diffusion and viscosity coefficients of several noble and polyatomic gases and rarefied gas nanosuspensions. The modeling accuracy increases when a greater number of molecules and phase trajectories are employed.",

keywords = "Diffusion, Gas nanosuspension, Rarefied gas, Stochastic molecular simulation, Transport coefficients, Transport processes, Viscosity",

author = "Rudyak, {V. Ya} and Lezhnev, {E. V.}",

year = "2020",

month = jun,

doi = "10.17586/2220-8054-2020-11-3-285-293",

language = "English",

volume = "11",

pages = "285--293",

journal = "Nanosystems-Physics chemistry mathematics",

issn = "2220-8054",

publisher = "ST PETERSBURG NATL RESEARCH UNIV INFORMATION TECHNOLOGIES, MECH & OPTICS",

number = "3",

}

RIS

TY - JOUR

T1 - Stochastic molecular modeling the transport coefficients of rarefied gas and gas nanosuspensions

AU - Rudyak, V. Ya

AU - Lezhnev, E. V.

PY - 2020/6

Y1 - 2020/6

N2 - The subject of this paper is the stochastic molecular modelling of the transport coefficients for rarefied gases and gas nanosuspensions. The proposed method is an alternative one to the molecular dynamics method. However, unlike the latter, the phase trajectories of the molecular system are simulated stochastically. Adequate integral characteristics of the studied system are obtained by averaging the calculated data over independent phase trajectories. The efficiency of the proposed algorithm is demonstrated by calculation of the diffusion and viscosity coefficients of several noble and polyatomic gases and rarefied gas nanosuspensions. The modeling accuracy increases when a greater number of molecules and phase trajectories are employed.

AB - The subject of this paper is the stochastic molecular modelling of the transport coefficients for rarefied gases and gas nanosuspensions. The proposed method is an alternative one to the molecular dynamics method. However, unlike the latter, the phase trajectories of the molecular system are simulated stochastically. Adequate integral characteristics of the studied system are obtained by averaging the calculated data over independent phase trajectories. The efficiency of the proposed algorithm is demonstrated by calculation of the diffusion and viscosity coefficients of several noble and polyatomic gases and rarefied gas nanosuspensions. The modeling accuracy increases when a greater number of molecules and phase trajectories are employed.

KW - Diffusion

KW - Gas nanosuspension

KW - Rarefied gas

KW - Stochastic molecular simulation

KW - Transport coefficients

KW - Transport processes

KW - Viscosity

UR - http://www.scopus.com/inward/record.url?scp=85101391703&partnerID=8YFLogxK

U2 - 10.17586/2220-8054-2020-11-3-285-293

DO - 10.17586/2220-8054-2020-11-3-285-293

M3 - Article

AN - SCOPUS:85101391703

VL - 11

SP - 285

EP - 293

JO - Nanosystems-Physics chemistry mathematics

JF - Nanosystems-Physics chemistry mathematics

SN - 2220-8054

IS - 3

ER -

ID: 27966650