Reproduction or distribution of these class notes without written permission from the

instructor is strongly prohibited. ©Erdal Uzunlar.

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CHE 330

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Mathematical Modeling in Engineering
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Instructor
Dr. Erdal Uzunlar

Teaching Assistants
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Azime Arıkaya
Günsev Dizoğlu
©

1 March 2021
 Transport Mechanisms

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𝑇𝑜𝑡𝑎𝑙 𝐹𝑙𝑢𝑥 = 𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥 + (𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥)

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Molecular flux arises from potential gradients.
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Convective flux arises when the physical quantity is transported by bulk fluid motion.
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©
 Molecular Transport

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Newton’s Law of Viscosity Isaac Newton

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Fourier’s Law of Heat Conduction Joseph Fourier
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Fick’s First Law of Diffusion Adolf Fick

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 Newton’s Law of Viscosity

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At t=0, the lower plate is set in motion in the x

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direction at a constant velocity of V by applying a force
F in the x direction. The upper plate is kept stationary.
Fluid in between

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Experiments show that the force F required to
maintain the motion of the lower plate per unit area
is proportional to the velocity gradient.

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∝ 𝜇 .
𝑉
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𝐴 𝑌
Momentum Transport Velocity
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flux property gradient

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Macroscopic version of the equation

 Newton’s Law of Viscosity – cont’d

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Microscopic version of the equation

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𝑑𝑣𝑥
𝜏𝑦𝑥 = − 𝜇 .
𝑑𝑦

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Shear stress Viscosity Strain rate
Flux of x-momentum Shear rate
in the y direction Deformation rate

𝑑𝑣𝑥
= 𝛾𝑦𝑥
ሶ
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𝑑𝑦

𝜇 ≠ 𝜇 𝛾𝑦𝑥
ሶ Newtonian Fluid
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𝜇 = 𝜇 𝛾𝑦𝑥
ሶ Non-Newtonian Fluid
©

http://www.rheosense.com/hs-fs/hubfs/Viscosity_Basics/Slide1.png?t=1518746407485&width=272&name=Slide1.png
 Newton’s Law of Viscosity – cont’d

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Units
𝑑𝑣𝑥
𝜏𝑦𝑥 = − 𝜇 .

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𝑑𝑦

𝑁ൗ 𝑚Τ
= 𝑃𝑎 𝑠 1ൗ
𝑚2 = 𝑠

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𝑚

1 𝑁 = 1 𝑘𝑔 . 1 𝑚ൗ 2
𝑠
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𝑁ൗ
2 𝑁 𝑘𝑔. 𝑚ൗ 2 𝑘𝑔
𝜇 = 𝑚 = 𝑃𝑎. 𝑠 = 2 𝑠 = 𝑠 𝑠=
1ൗ 𝑚 𝑚 2 𝑚. 𝑠
𝑠
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1 𝑃𝑎. 𝑠 = 10 𝑃 = 103 𝑐𝑃
©
 Fourier’s Law of Heat Conduction

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Initially, T=T0 everywhere.

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At t=0, the lower plate is suddenly brought to a
Solid material higher temperature T1 (i.e. T1>T0). Heat will flow in

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in between
the y direction.
Experiments at steady-state show that the rate
of heat flow per unit area is proportional to the

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temperature gradient.

𝑄ሶ 𝑇1 − 𝑇0
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∝ 𝑘 .
𝐴 𝑌
Energy flux Transport Temperature
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property gradient

Macroscopic version of the equation

©
Fourier’s Law of Heat Conduction – cont’d

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Microscopic version of the equation

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𝑑𝑇
𝑞𝑦 = − 𝑘 .
𝑑𝑦
Heat transfer rate Thermal Temperature

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per unit area conductivity gradient
in the y direction
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𝑊ൗ
𝑘 = 𝑚2 = 𝑊ൗ
𝐾ൗ 𝑚𝐾
𝑚
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 Fick’s First Law of Diffusion

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The lower plate is coated with material A.
The space between plates is filled with material B.

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Stagnant A has a very low solubility in the stagnant fluid B.
material B in
between
ρA0 is the saturation concentration of A in B.

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At t=0, A undergoes a very fast chemical reaction at
the upper plate such that the concentration of A at

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the upper surface is zero.

Experiments show that mass flux of A is proportional

to the concentration gradient.
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𝑚ሶ 𝐴 𝜌𝐴0
∝ 𝐷𝐴𝐵 .
𝐴 𝑌
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Mass flux Transport Concentration

property gradient
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Diffusivity of A in B
Fick’s First Law of Diffusion – cont’d

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Microscopic version of the equation

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𝑑𝜔𝐴
𝑗𝐴𝑦 = − 𝐷𝐴𝐵 . 𝜌 .

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𝑑𝑦
Molecular mass flux of A Diffusivity of A in B Total density Mass fraction gradient

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in the y direction
ωA : mass fraction of A
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𝐼𝑓 𝜌 ≠ 𝜌 𝑦

𝑑𝜌𝐴
𝑗𝐴𝑦 = − 𝐷𝐴𝐵 .
Er

𝑑𝑦
©
 Similarities in Diffusivities

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𝑑𝑣𝑥 𝜇 𝑑 𝜌𝑣𝑥 𝜇

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𝜏𝑦𝑥 = −𝜇 𝜌≠𝜌 𝑦 𝜏𝑦𝑥 =− . =𝜈
𝑑𝑦 𝜌 𝑑𝑦 𝜌
𝜌 = 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡

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Momentum Gradient Kinematic
diffusivity over viscosity
volume

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𝑑𝑇 𝑘 𝑑 𝜌𝐶𝑃 𝑇 𝑘
𝑞𝑦 = −𝑘 𝜌𝐶𝑃 = 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡 𝑞𝑦 = − =𝛼
𝑑𝑦 𝜌𝐶𝑃 𝑑𝑦 𝜌𝐶𝑃

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Thermal Gradient Thermal
diffusivity over diffusivity
volume

𝑑𝜔𝐴 𝑑𝜌𝐴
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𝑗𝐴𝑦 = −𝐷𝐴𝐵 𝜌 𝜌 = 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡 𝑗𝐴𝑦 = −𝐷𝐴𝐵 𝐷𝐴𝐵
𝑑𝑦 𝑑𝑦
Mass Gradient Mass
diffusivity over diffusivity
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volume

𝐺𝑟𝑎𝑑𝑖𝑒𝑛𝑡 𝑜𝑓 𝑄𝑢𝑎𝑛𝑡𝑖𝑡𝑦
𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥 = 𝐷𝑖𝑓𝑓𝑢𝑠𝑖𝑣𝑖𝑡𝑦 .
©

𝑉𝑜𝑙𝑢𝑚𝑒
All diffusivity terms have unit of m2/s
 Dimensionless Numbers

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Since all diffusivity terms have the same unit, their ratio gives dimensionless numbers.

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Dimensionless numbers enable a quick understanding of the dominant diffusion mechanisms.

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𝜈 𝜇𝐶𝑃 Ratio of viscous diffusion rate to
Prandtl number = Pr = = thermal diffusion rate
𝛼 𝑘
Pr ≅ 1 for gases

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Pr ≅ 10 for liquids

𝜈 𝜇 Ratio of viscous diffusion rate to

Schmidt number = Sc = =
𝐷𝐴𝐵 𝜌𝐷𝐴𝐵 mass diffusion rate
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Sc ≅ 1 for gases
S𝑐 ≅ 103 for liquids
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𝛼 𝑘 Ratio of thermal diffusion rate to

Lewis number = Le = =
𝐷𝐴𝐵 𝜌𝐶𝑃 𝐷𝐴𝐵 mass diffusion rate
©

𝑆𝑐
Le =
𝑃𝑟
Revisit Transport Mechanisms

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𝑇𝑜𝑡𝑎𝑙 𝐹𝑙𝑢𝑥 = 𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥 + (𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥)

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Now we will cover convective transport.
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 Convective Transport

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𝑄𝑢𝑎𝑛𝑡𝑖𝑡𝑦

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𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥 = . (𝐶ℎ𝑎𝑟𝑎𝑐𝑡𝑒𝑟𝑖𝑠𝑡𝑖𝑐 𝑉𝑒𝑙𝑜𝑐𝑖𝑡𝑦)
𝑉𝑜𝑙𝑢𝑚𝑒

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For a “single phase, multi-component system”, the characteristic velocity is given by

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𝑛

𝑣𝑐ℎ = ෍ 𝛽𝑖 𝑣𝑖
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𝑖

vch : average characteristic velocity

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βi : weighing factor of component i

vi : velocity of component i
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 Convective Transport, cont’d

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Characteristic velocity can be defined with respect to mass average, molar average, or

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volume average.

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Characteristic Velocity Weighting Factor Formulation

Mass average, 𝑣 Mass fraction, 𝜔𝑖 𝑣 = ෍ 𝜔𝑖 𝑣𝑖

𝑖

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Molar average, 𝑣 ∗ Mole fraction, 𝑥𝑖 𝑣 ∗ = ෍ 𝑥𝑖 𝑣𝑖
𝑖

Volume average, 𝑣 ≠ Volume fraction, 𝑐𝑖 𝑉ത𝑖 𝑣 ≠ = ෍ 𝑐𝑖 𝑉ത𝑖 𝑣𝑖

𝑖
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𝑐𝑖 : concentration of component i
𝑉ത𝑖 : partial molar volume of component i

For dilute gas mixtures, use molar average characteristic velocity, 𝑣 ∗

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For dilute liquid mixtures, use mass average characteristic velocity, 𝑣

©

𝑐 = 𝑡𝑜𝑡𝑎𝑙 𝑚𝑜𝑙𝑎𝑟 𝑐𝑜𝑛𝑐𝑒𝑛𝑡𝑟𝑎𝑡𝑖𝑜𝑛 = 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡 𝑣∗ = 𝑣≠

𝜌 = 𝑡𝑜𝑡𝑎𝑙 𝑚𝑎𝑠𝑠 𝑑𝑒𝑛𝑠𝑖𝑡𝑦 = 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡 𝑣 = 𝑣≠
 Total Flux

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𝑇𝑜𝑡𝑎𝑙 𝐹𝑙𝑢𝑥 = 𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥 + (𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥)

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𝑄𝑢𝑎𝑛𝑡𝑖𝑡𝑦
𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥 = . (𝐶ℎ𝑎𝑟𝑎𝑐𝑡𝑒𝑟𝑖𝑠𝑡𝑖𝑐 𝑉𝑒𝑙𝑜𝑐𝑖𝑡𝑦)
𝑉𝑜𝑙𝑢𝑚𝑒

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𝐺𝑟𝑎𝑑𝑖𝑒𝑛𝑡 𝑜𝑓 𝑄𝑢𝑎𝑛𝑡𝑖𝑡𝑦 (𝐷𝑖𝑓𝑓𝑒𝑟𝑒𝑛𝑐𝑒 𝑖𝑛 𝑄𝑢𝑎𝑛𝑡𝑖𝑡𝑦/𝑉𝑜𝑙𝑢𝑚𝑒)
𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥 = 𝐷𝑖𝑓𝑓𝑢𝑠𝑖𝑣𝑖𝑡𝑦 . = 𝐷𝑖𝑓𝑓𝑢𝑠𝑖𝑣𝑖𝑡𝑦 .
𝑉𝑜𝑙𝑢𝑚𝑒 𝐶ℎ𝑎𝑟𝑎𝑐𝑡𝑒𝑟𝑖𝑠𝑡𝑖𝑐 𝐿𝑒𝑛𝑔𝑡ℎ

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𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥 𝐶ℎ𝑎𝑟𝑎𝑐𝑡𝑒𝑟𝑖𝑠𝑡𝑖𝑐 𝑉𝑒𝑙𝑜𝑐𝑖𝑡𝑦 𝐶ℎ𝑎𝑟𝑎𝑐𝑡𝑒𝑟𝑖𝑠𝑡𝑖𝑐 𝐿𝑒𝑛𝑔𝑡ℎ
Peclet number = 𝑃𝑒 = =
𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥 𝐷𝑖𝑓𝑓𝑢𝑠𝑖𝑣𝑖𝑡𝑦
da
Heat transfer Peclet number
𝑣𝑐ℎ 𝐿𝑐ℎ 𝑃𝑒 ≪ 1 𝑇𝑜𝑡𝑎𝑙 𝐹𝑙𝑢𝑥 = 𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥
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𝑃𝑒ℎ =
𝛼
𝑃𝑒 ≅ 1 𝑇𝑜𝑡𝑎𝑙 𝐹𝑙𝑢𝑥 = 𝑀𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟 𝐹𝑙𝑢𝑥 + (𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥)
Mass transfer Peclet number
©

𝑣𝑐ℎ 𝐿𝑐ℎ Pe ≫ 1 𝑇𝑜𝑡𝑎𝑙 𝐹𝑙𝑢𝑥 = (𝐶𝑜𝑛𝑣𝑒𝑐𝑡𝑖𝑣𝑒 𝐹𝑙𝑢𝑥)

𝑃𝑒𝑚 =
𝐷𝐴𝐵
Total Flux Expressions

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