TY - JOUR
T1 - An optimal scaling to computationally tractable dimensionless models
T2 - Study of latex particles morphology formation
AU - Rusconi, Simone
AU - Dutykh, Denys
AU - Zarnescu, Arghir
AU - Sokolovski, Dmitri
AU - Akhmatskaya, Elena
N1 - Funding Information:
This research is supported by the Spanish Ministry of Science , Innovation and Universities: MTM2016-76329-R (AEI/FEDER, EU), MTM2017-82184-R (DESFLU) and BCAM Severo Ochoa accreditation, Spain SEV-2017-0718 . The Basque Government is acknowledged for support through ELKARTEK Programme, Spain (grants KK-2018/00054 and KK-2019/00068 ) and BERC 2018–2021 program, Spain . The authors thank J.M. Asua and S. Hamzehlou (POLYMAT, Spain) for valuable discussions.
Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2020/2
Y1 - 2020/2
N2 - In modelling of chemical, physical or biological systems it may occur that the coefficients, multiplying various terms in the equation of interest, differ greatly in magnitude, if a particular system of units is used. Such is, for instance, the case of the Population Balance Equations (PBE) proposed to model the Latex Particles Morphology formation. The obvious way out of this difficulty is the use of dimensionless scaled quantities, although often the scaling procedure is not unique. In this paper, we introduce a conceptually new general approach, called Optimal Scaling (OS). The method is tested on the known examples from classical and quantum mechanics, and applied to the Latex Particles Morphology model, where it allows us to reduce the variation of the relevant coefficients from 49 to just 4 orders of magnitudes. The PBE are then solved by a novel Generalised Method Of Characteristics, and the OS is shown to help reduce numerical error, and avoid unphysical behaviour of the solution. Although inspired by a particular application, the proposed scaling algorithm is expected find application in a wide range of chemical, physical and biological problems.
AB - In modelling of chemical, physical or biological systems it may occur that the coefficients, multiplying various terms in the equation of interest, differ greatly in magnitude, if a particular system of units is used. Such is, for instance, the case of the Population Balance Equations (PBE) proposed to model the Latex Particles Morphology formation. The obvious way out of this difficulty is the use of dimensionless scaled quantities, although often the scaling procedure is not unique. In this paper, we introduce a conceptually new general approach, called Optimal Scaling (OS). The method is tested on the known examples from classical and quantum mechanics, and applied to the Latex Particles Morphology model, where it allows us to reduce the variation of the relevant coefficients from 49 to just 4 orders of magnitudes. The PBE are then solved by a novel Generalised Method Of Characteristics, and the OS is shown to help reduce numerical error, and avoid unphysical behaviour of the solution. Although inspired by a particular application, the proposed scaling algorithm is expected find application in a wide range of chemical, physical and biological problems.
KW - Dimensionless models
KW - Generalised Method Of Characteristics
KW - Multi-phase polymers
KW - Nondimensionalization
KW - Population Balance Equations
KW - Schrödinger equation
UR - http://www.scopus.com/inward/record.url?scp=85073002954&partnerID=8YFLogxK
U2 - 10.1016/j.cpc.2019.106944
DO - 10.1016/j.cpc.2019.106944
M3 - Article
AN - SCOPUS:85073002954
SN - 0010-4655
VL - 247
JO - Computer Physics Communications
JF - Computer Physics Communications
M1 - 106944
ER -