Abstract
Optimization of liquid thermophysical properties is important for engineering applications; often achieved by mixing two or more liquids. An important issue is that properties tend to be coupled, which can be problematic if improvement of one property is accompanied by deterioration in another. Therefore, optimization is typically a compromise between properties, and it could be enhanced if they could be decoupled. Such decoupling however first requires an understanding of the common and distinct physical origins of each thermophysical property of interest. Here, we introduce a new approach to gain such understanding, combining molecular-simulation-based structural perturbation with regularized statistical analysis. Considering viscosity and thermal conductivity of a water–glycol mixture as a test-case, we identify the role of structure on each property, and highlight the important role that hydrogen bonding can play in such decoupling.
| Original language | English |
|---|---|
| Pages (from-to) | 12-17 |
| Number of pages | 6 |
| Journal | International Journal of Heat and Mass Transfer |
| Volume | 105 |
| DOIs | |
| Publication status | Published - Feb 1 2017 |
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All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Mechanical Engineering
- Fluid Flow and Transfer Processes
Cite this
Understanding decoupling mechanisms of liquid-mixture transport properties through regression analysis with structural perturbation. / Cannon, James J.; Kawaguchi, Tohru; Kaneko, Takashi; Fuse, Takuya; Shiomi, Junichiro.
In: International Journal of Heat and Mass Transfer, Vol. 105, 01.02.2017, p. 12-17.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Understanding decoupling mechanisms of liquid-mixture transport properties through regression analysis with structural perturbation
AU - Cannon, James J.
AU - Kawaguchi, Tohru
AU - Kaneko, Takashi
AU - Fuse, Takuya
AU - Shiomi, Junichiro
PY - 2017/2/1
Y1 - 2017/2/1
N2 - Optimization of liquid thermophysical properties is important for engineering applications; often achieved by mixing two or more liquids. An important issue is that properties tend to be coupled, which can be problematic if improvement of one property is accompanied by deterioration in another. Therefore, optimization is typically a compromise between properties, and it could be enhanced if they could be decoupled. Such decoupling however first requires an understanding of the common and distinct physical origins of each thermophysical property of interest. Here, we introduce a new approach to gain such understanding, combining molecular-simulation-based structural perturbation with regularized statistical analysis. Considering viscosity and thermal conductivity of a water–glycol mixture as a test-case, we identify the role of structure on each property, and highlight the important role that hydrogen bonding can play in such decoupling.
AB - Optimization of liquid thermophysical properties is important for engineering applications; often achieved by mixing two or more liquids. An important issue is that properties tend to be coupled, which can be problematic if improvement of one property is accompanied by deterioration in another. Therefore, optimization is typically a compromise between properties, and it could be enhanced if they could be decoupled. Such decoupling however first requires an understanding of the common and distinct physical origins of each thermophysical property of interest. Here, we introduce a new approach to gain such understanding, combining molecular-simulation-based structural perturbation with regularized statistical analysis. Considering viscosity and thermal conductivity of a water–glycol mixture as a test-case, we identify the role of structure on each property, and highlight the important role that hydrogen bonding can play in such decoupling.
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UR - http://www.scopus.com/inward/citedby.url?scp=84988452272&partnerID=8YFLogxK
U2 - 10.1016/j.ijheatmasstransfer.2016.09.046
DO - 10.1016/j.ijheatmasstransfer.2016.09.046
M3 - Article
AN - SCOPUS:84988452272
VL - 105
SP - 12
EP - 17
JO - International Journal of Heat and Mass Transfer
JF - International Journal of Heat and Mass Transfer
SN - 0017-9310
ER -