Characteristics-based sectional modeling of aerosol nucleation and condensation

E.M.A. Frederix, M. Staniç, Arkadiusz K. Kuczaj, M. Nordlund, Bernardus J. Geurts

Research output: Contribution to journalArticleAcademicpeer-review

5 Citations (Scopus)

Abstract

A new numerical method for the solution of an internally mixed spatially homogeneous sectional model for aerosol nucleation and condensation is proposed. The characteristics method is used to predict droplet sizes within a discrete time step. The method is de- signed such that 1) a pre-specified number of moments of the droplet size distribution may be preserved, 2) there exists no time step stability restriction related to the condensa- tion rate and section size, 3) highly skewed fixed sectional distributions may be used and 4) it is straightforward to extend to spatially inhomogeneous settings and to incorporate droplet coagulation and break-up. We derive, starting from mass conservation, a consis- tent internally mixed multi-species aerosol model. For certain condensational growth laws analytical solutions exist, against which the method is validated. Using two-moment and four-moment-preserving schemes, we find first order convergence of the numerical solu- tion to the analytical result, as a function of the number of sections. As the four-moment- preserving scheme does not guarantee positivity of the solution, a hybrid scheme is pro- posed, which, when needed, locally reverts back to two-moment preservation, to prevent negativity. As an illustration, the method is applied to a complete multi-species homoge- neous nucleation and condensation problem.
Original languageEnglish
Pages (from-to)499-515
Number of pages17
JournalJournal of computational physics
Volume326
DOIs
Publication statusPublished - 1 Dec 2016

Fingerprint

Aerosol
Condensation
Nucleation
Aerosols
aerosols
condensation
nucleation
Moment
moments
Droplet
Modeling
preserving
Coagulation
Conservation
Numerical methods
Characteristics Method
method of characteristics
Mass Conservation
Breakup
coagulation

Keywords

  • Aerosol
  • Droplet size distribution
  • Characteristics
  • IR-101789
  • EWI-27317
  • METIS-318557
  • Eulerian
  • Sectional
  • Multi-phase

Cite this

@article{0d76e1267bbf4694b6ed54ce7c8492f0,
title = "Characteristics-based sectional modeling of aerosol nucleation and condensation",
abstract = "A new numerical method for the solution of an internally mixed spatially homogeneous sectional model for aerosol nucleation and condensation is proposed. The characteristics method is used to predict droplet sizes within a discrete time step. The method is de- signed such that 1) a pre-specified number of moments of the droplet size distribution may be preserved, 2) there exists no time step stability restriction related to the condensa- tion rate and section size, 3) highly skewed fixed sectional distributions may be used and 4) it is straightforward to extend to spatially inhomogeneous settings and to incorporate droplet coagulation and break-up. We derive, starting from mass conservation, a consis- tent internally mixed multi-species aerosol model. For certain condensational growth laws analytical solutions exist, against which the method is validated. Using two-moment and four-moment-preserving schemes, we find first order convergence of the numerical solu- tion to the analytical result, as a function of the number of sections. As the four-moment- preserving scheme does not guarantee positivity of the solution, a hybrid scheme is pro- posed, which, when needed, locally reverts back to two-moment preservation, to prevent negativity. As an illustration, the method is applied to a complete multi-species homoge- neous nucleation and condensation problem.",
keywords = "Aerosol, Droplet size distribution, Characteristics, IR-101789, EWI-27317, METIS-318557, Eulerian, Sectional, Multi-phase",
author = "E.M.A. Frederix and M. Stani{\cc} and Kuczaj, {Arkadiusz K.} and M. Nordlund and Geurts, {Bernardus J.}",
note = "eemcs-eprint-27317",
year = "2016",
month = "12",
day = "1",
doi = "10.1016/j.jcp.2016.09.005",
language = "English",
volume = "326",
pages = "499--515",
journal = "Journal of computational physics",
issn = "0021-9991",
publisher = "Academic Press Inc.",

}

Characteristics-based sectional modeling of aerosol nucleation and condensation. / Frederix, E.M.A.; Staniç, M.; Kuczaj, Arkadiusz K.; Nordlund, M.; Geurts, Bernardus J.

In: Journal of computational physics, Vol. 326, 01.12.2016, p. 499-515.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Characteristics-based sectional modeling of aerosol nucleation and condensation

AU - Frederix, E.M.A.

AU - Staniç, M.

AU - Kuczaj, Arkadiusz K.

AU - Nordlund, M.

AU - Geurts, Bernardus J.

N1 - eemcs-eprint-27317

PY - 2016/12/1

Y1 - 2016/12/1

N2 - A new numerical method for the solution of an internally mixed spatially homogeneous sectional model for aerosol nucleation and condensation is proposed. The characteristics method is used to predict droplet sizes within a discrete time step. The method is de- signed such that 1) a pre-specified number of moments of the droplet size distribution may be preserved, 2) there exists no time step stability restriction related to the condensa- tion rate and section size, 3) highly skewed fixed sectional distributions may be used and 4) it is straightforward to extend to spatially inhomogeneous settings and to incorporate droplet coagulation and break-up. We derive, starting from mass conservation, a consis- tent internally mixed multi-species aerosol model. For certain condensational growth laws analytical solutions exist, against which the method is validated. Using two-moment and four-moment-preserving schemes, we find first order convergence of the numerical solu- tion to the analytical result, as a function of the number of sections. As the four-moment- preserving scheme does not guarantee positivity of the solution, a hybrid scheme is pro- posed, which, when needed, locally reverts back to two-moment preservation, to prevent negativity. As an illustration, the method is applied to a complete multi-species homoge- neous nucleation and condensation problem.

AB - A new numerical method for the solution of an internally mixed spatially homogeneous sectional model for aerosol nucleation and condensation is proposed. The characteristics method is used to predict droplet sizes within a discrete time step. The method is de- signed such that 1) a pre-specified number of moments of the droplet size distribution may be preserved, 2) there exists no time step stability restriction related to the condensa- tion rate and section size, 3) highly skewed fixed sectional distributions may be used and 4) it is straightforward to extend to spatially inhomogeneous settings and to incorporate droplet coagulation and break-up. We derive, starting from mass conservation, a consis- tent internally mixed multi-species aerosol model. For certain condensational growth laws analytical solutions exist, against which the method is validated. Using two-moment and four-moment-preserving schemes, we find first order convergence of the numerical solu- tion to the analytical result, as a function of the number of sections. As the four-moment- preserving scheme does not guarantee positivity of the solution, a hybrid scheme is pro- posed, which, when needed, locally reverts back to two-moment preservation, to prevent negativity. As an illustration, the method is applied to a complete multi-species homoge- neous nucleation and condensation problem.

KW - Aerosol

KW - Droplet size distribution

KW - Characteristics

KW - IR-101789

KW - EWI-27317

KW - METIS-318557

KW - Eulerian

KW - Sectional

KW - Multi-phase

U2 - 10.1016/j.jcp.2016.09.005

DO - 10.1016/j.jcp.2016.09.005

M3 - Article

VL - 326

SP - 499

EP - 515

JO - Journal of computational physics

JF - Journal of computational physics

SN - 0021-9991

ER -