EXPERIMENTAL

DESIGN

Instructor: Lê Ngọc Liễu

Email: lnlieu@hcmiu.edu.vn
Office: A1.706
Chapter 5: Modeling
Four general fields applying Design of Experiment

Comparative

Screening

Optimization

Modeling
Modeling

Used when you want to be able to construct a mathematical model that

will predict the effect on a process of manipulating a variable or
multiple variables
Modeling

Theoretical Models

• Simplifying assumptions needed

• General results
• Less facilities usually needed

Experimental approach

• Study the “real world”

• Results specific to apparatus studied
• High accuracy measurements need complex instruments
• Extensive lab facilities maybe needed
Why modeling?

”Real-world” may not happen at the moment

To extrapolate or interpolate the data based on a
mathematical equation fit

To correlate frequency spectra of observations and model

output
Why modeling?

”real-world” may not happen at the moment

https://medium.com/@tomaspueyo/coronavirus-act-today-or-people-will-die-f4d3d9cd99ca
Why modeling?

To extrapolate or interpolate the data based on a mathematical equation fit



   

Calín-Sánchez, Ángel, et al.

"Drying kinetics and .
 .
microstructural and Sensory

  e
Properties of black chokeberry
(Aronia melanocarpa) as
affected by drying
method." Food and bioprocess
technology 8.1 (2015): 63-74.

Fig.3 Drying kinetics of black chokeberry fruits dehydrated using

convective drying. The line shows the best model fitting the experimental
points
Why modeling?

Correlate frequency spectra of observations and model output

Talens, Pau, et al. "Prediction of water and protein contents and quality classification of
Spanish cooked ham using NIR hyperspectral imaging." Journal of Food
Engineering 117.3 (2013): 272-280.
Mechanics of models

Models use equations whose solutions describe a process

Two different types: Empirical and Fundamental

 Empirical Fundamental

Based on observation and
Theory based

experimental data

Conversion of theories and concepts

Extract as much useful information into mathematical and computer
contained in the measured data as simulations.
possible

Commonly used in the food industry
Data only used to calibrate / validate
Advantages of modeling

Enables the expression of knowledge in simple terms

Reduces the cost of experimentation

Can extrapolate model to unexplored or un-explorable regions

Allows alternatives to be considered which may be difficult or

expensive to test

Allows sensitivity of a process to variables, and design of optimal

control strategies, to be studied
Examples of modeling in food processing

Moisture diffusion within rice kernels during drying

Three‐dimensional geometric modeling of tomatoes

Modeling of heat transfer of tomatoes and other fruits during peeling

Modeling of contact-heating process for cooking a hamburger patty

Modeling of coupled enzymatic hydrolysis and membrane separation process
during the peptides production from protein

Drying kinetics of grains, nuts, vegetables and fruits

Thermal inhibition kinetics of enzymes in fruits and vegetables

Inactivation kinetics of flavus on rough rice

Determination of effective moisture diffusivity in the walnuts during hot-air drying
process
Kinetic modeling

Kinetics of degradation of compounds (such as vitamins)

Kinetics of formation of undesired compounds (such as acrylamide)

Kinetics of aggregation in texture formation

Kinetics of drying foodstuffs

Kinetics of inactivation of enzymes and microorganisms

Kinetics of crystallization and sedimentation

Kinetic modeling

Procedure

Seek for suitable models

Carry out experiment to obtain experimental data

Model fitting

Model evaluation
Seek for suitable models
Drying kinetics Rehydration kinetics

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Seek for suitable models

Anthocyanin degradation kinetics Enzyme inactivation kinetics

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Carry out experiment to obtain experimental data

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How to design the experiment to collect data?

When to stop the experiment?
Time interval?
Evaluate the fitting of model


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Fitting

.
 .

  e

How to draw the fitting line in excel?

Evaluate the fitting of model

Coefficient of determination (R2)

.
 .

  e

Root mean square error (RMSE)
Example 4.1: rehydration model
Moisture content
Time (min) (kg water/kg dry solid)
0 0.124
30 1.251
60 1.497
90 1.826
K1 and K2 are the Peleg's rate constant (h%-1) and
120 2.310
capacity constant (%-1), respectively 150 2.470
180 2.305
Mt and Mo are the moisture contents at the time t and at 210 2.369
the initial time 240 2.366

- Establish Peleg’s model for the rehydration.

- Determine rehydration capacity of the leaves.
- Evaluate the fitting of model.
- Draw the graph describing both predicted and experimental data
 Example 4.1: rehydration model
3.0

R2 = 0.9698
2.5
(kg water/kg dry solid)
Rehydration

2.0 RMSE = 0.1271

Experimental
1.5
Predicted Rehydration capacity: 0.3508 %-1
1.0

0.5

0.0
0 50 100 150 200 250 300
Time (min)



  0.1266 
18.0175  0.3508
Kinetic model: extra example (4.2)
Following table shows the change of moisture ratio of a food material over time.
a) Use Lewis and Midilli’s models to fit the data.
b) Which model is more suitable to describe the process?
c) Draw the graph of experimental data and predicted data obtained from the more suitable model.

Time (min) Moisture ratio (MR)

0 1
15 0.96
30 0.91
45 0.84
Model name Model
60 0.78
Lewis MR = exp(-kt)
75 0.67
90 0.53 Midilli et. al. MR = aexp(-ktn) + bt
120 0.27
150 0.05
180 0.01
210 0
240 0
270 0
Kinetic model: extra example
The graph of experimental and predicted data obtained from Midilli model
What useful information can be extracted from models?

To predict the data based on a mathematical equation fit

To calculate the constants and coefficients

To calculate effective moisture diffusivity Deff

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   -.
, 42
.

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To calculate the activation energy of drying
process

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5
Case study 5.1
Wenjiao, F., Yongkui, Z., Yunchuan, C., Junxiu, S., & Yuwen, Y. (2014). TBARS
predictive models of pork sausages stored at different temperatures. Meat
science, 96(1), 1-4.
Case study 5.2

Wang, W. D., & Xu, S. Y. (2007). Degradation kinetics of anthocyanins in blackberry

juice and concentrate. Journal of food engineering, 82(3), 271-275.