PART I OVERVIEW

• Introduction
• Product specification
• Mathematical modelling
• Elements of the Product Design Framework

PART II
• Design of Chemical Devices
• Design of Functional Product

PART III
• Design of Formulated Products
• Design a Sunscreen Cream
• Design of insect repellent spray
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• Design a Cream Manufacturing Process
DESIGN OF
CHEMICAL
DEVICES
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 DESIGN PROCEDURE FOR CHEMICAL DEVICE AND FUNCTIONAL PRODUCT

1) Specify the product performance.

2) Identify the key ingredients as well as the configurations that can accomplish the
targeted changes to the feed stream or deliver the desired function. Keep in mind
that more than one set of key ingredients and/or configuration may provide the
product performance, leading to different product alternatives.
3) Identify the physicochemical phenomena ranging from reactions to separations
involved in the product.
4) Use models, experiments and available data/knowledge to identify the product
specifications for meeting the desired product performance and compare product
alternatives.
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 EXAMPLE: DESIGN OF AN AIR PURIFIER
Volatile organic compounds (VOCs) are emitted as gases VOCs
from certain solids or liquids especially from household Benzene
products. Paints, varnishes and wax all contain organic toluene
solvents, as do many cleaning, cooking, disinfecting, xylene
cosmetic, and hobby products. All of these products can ethylene glycol
release organic compounds while you are using them, formaldehyde
and, to some degree, when they are stored. methylene chloride
tetrachloroethylene
Health effects may include: 1,3-butadiene
• Eye, nose and throat irritation
• Headaches, loss of coordination and nausea
• Damage to liver, kidney and central nervous system
• Some organics can cause cancer in animals, some are
4 suspected or known to cause cancer in humans.
 EXAMPLE: DESIGN OF AN AIR PURIFIER
Design scenario:
A home appliance company plans to produce
an air purifier to remove indoor volatile
organic compounds (VOCs). As a measure of
product performance, it is expected to reduce
the concentration of VOCs from 150 mg/m3
to 30 mg/m3 in a room 200 m3 in size within
2 hours.

Ci = 150 mg/m3
Cf = 30 mg/m3
Vr = 200 m3
t=2h

5 HEPA = High Efficiency Particulate Absorption

 STEP 1 – SPECIFY PRODUCT PERFORMANCE
VOCs are made up of different compounds such
as acetone, benzene, toluene and methylene
chloride.

As a starting point, toluene is used as the

reference compound for quantifying the product
performance as stated above.

Reduce the concentration of toluene from

150 to 30 mg/m3 withing 2 hours

Co = 150 mg/m3  Cf = 30 mg/m3

t=2h
Toluene
6 HEPA = High Efficiency Particulate Absorption
 STEP 2 – IDENTIFY THE KEY INGREDIENTS
• How to remove VOCs?
o Adsorption – capturing
o Absorption – capturing
o Photocatalytic Oxidation (PCO) –
decomposing VOCs

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 STEP 2 – IDENTIFY THE KEY INGREDIENTS
• What is the mechanism involves in PCO?
o The decomposition done by catalysts with present of UV light - TiO2 is the most widely
used PCO catalysts.
• How to place the catalyst within the air purifier system?
o It can be deposited on any catalyst support such as carbon, alumina and silica to obtain
a high surface area.
• How to design the air purifier?
• The support and the structure, form, shape or configuration of the product must
o provide intimate contact between the catalyst and the air flow with the VOCs,
o allow sufficient and relatively uniform UV light on the catalyst, and
o be compact, taking up as little space as possible.
• It is decided that a commercially available Pt-doped TiO2 catalyst be impregnated on a
HEPA filter, which is a highly porous material made up of randomly oriented synthetic
8
fibers.
 STEP 2 – IDENTIFY THE CONFIGURATION
• Three additional possible product configurations are shown
below.

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 STEP 3 – IDENTIFY THE PHYSICOCHEMICAL PHENOMENA

• The decomposition of VOCs on the surface of TiO2 proceeds

via several steps.
• Electron–hole pairs, generated by irradiating the TiO2 with
light, are separated by forming a hydroxyl radical (OH) with
adsorbed H2O. Then, redox reactions take place between OH
and adsorbed VOC. The last step is desorption of reaction
products such as CO2, water and hydrogen halides (HX), and
reconstruction of the surface.

Langmuir-Hinshelwood kinetics can be used to model the PCO reaction.

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 STEP 4 – USE MODELS AND DATA TO DETERMINE PRODUCT SPECIFICATIONS

• Product Specifications: The total amount of TiO2 coating for achieving the
design target.
• Assuming the air in the room is perfectly mixed, the mass balance of toluene can be
written as: 𝑑 [ 𝐶]
𝑉𝑟 =𝑟 𝑇 𝑉 𝑐𝑎𝑡 (5.1 )
𝑑𝑡
where Vr and Vcat are the volume of the room and catalyst, respectively, [C] is the
toluene concentration in air, and rT is the rate of decomposition of toluene.
• The decomposition rate of toluene is given by
− 𝑘𝐾 𝑇 [𝐶 ]
𝑟𝑇= (5.4 )
1 + 𝐾 𝑇 [𝐶 ]

where k is the surface reaction rate constant, and KT is the adsorption equilibrium
11 constant for toluene.
 STEP 4 – USE MODELS AND DATA TO DETERMINE PRODUCT SPECIFICATIONS

• Substituting Eq 5.4 into Eq 5.1 and integrating t from t=0 to tf

𝑡 𝑓 =−
ln
( [𝐶𝑓 ]
[ 𝐶0 ] )
+𝐾𝑇 ( [ 𝐶 𝑓 ] − [ 𝐶0 ] )
(5.5 )
𝑘 𝐾𝑇 ( 𝑉 𝑐𝑎𝑡
𝑉 𝑟 )
where tf is the total reaction time, [C0] and [Cf] are the initial and final concentration of
toluene, respectively.
Co = 150 mg/m3
Cf = 30 mg/m3
Vr = 200 m3
t=2h
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 STEP 4 – USE MODELS AND DATA TO IDENTIFY PRODUCT SPECIFICATIONS

• The surface reaction rate constant for toluene k can be expressed by the following
empirical relation:
(5.6)

where Km, K2, K3, K4, K5 and K6 are fitting parameters, and RH is the relative humidity
of the air.
• Parameter fitting for toluene degradation experiments conducted at a RH between 14-
82%, a light intensity of 2.2 mW/cm2, and an initial concentration of 150 mg/m3, we
get
Km KT K2 K3 K4 (m3/mg) K5 K6 (m3/mg)2
(mg/m3.min) (m3/mg)
5.78 0.0189 -14.599 183873.42 -3033.00 1614.37 13.1871

13 • Assume RH = 50%, k = 238,103,199.5 mg/(m3.min)

 STEP 4 – USE MODELS AND DATA TO IDENTIFY PRODUCT
SPECIFICATIONS
Co = 150 mg/m3
Cf = 30 mg/m3
• Since 200 m3 air needs to be cleaned within 2 hours, tf ≤ 2h Vr = 200 m3
and Vr = 200 m3. Substituting k and KT into Eq 5.5, we get t=2h
k = 238,103,199.5 mg/(m3.min)

𝑡 𝑓 =−
ln
(
[𝐶𝑓 ] +𝐾
[ 𝐶0 ] )𝑇 ( [ 𝐶 𝑓 ] − [ 𝐶0 ] )

(5.5 )
KT =0.0189 m3/kg

𝑘 𝐾𝑇 ( 𝑉 𝑐𝑎𝑡
𝑉 𝑟 )
30 m3 mg
ln +0.0189 × ( 30 − 150 )
150 mg m
3
200 m
3
𝑡 𝑓 =− × ≤ 2 h (5.7 )
mg m3
V Cat
238103199.5 × 0.0189
m 3 ∙ min mg

or Vcat ≥ 1.436 x 10-6 m3

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 STEP 4 – USE MODELS AND DATA TO IDENTIFY PRODUCT SPECIFICATIONS

• If a HEPA filter area of 0.1 m2 is assumed, the thickness of the 0.1 m2

catalyst coating, s, is given by HEPA filter area

𝑉 𝑐𝑎𝑡 1.436 × 10
−6
m
3
D=10 cm
𝑠≥ = =14.4 μm (5.8 )
0.1 m 2 0.1 m 2

• If assumed product configuration selected is Fig. 5.8b,

L=32 cm
the inner diameter of cylindrical HEPA filter is 10 cm and length
would be 32 cm.

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 STEP 4 – USE MODELS AND DATA TO IDENTIFY PRODUCT SPECIFICATIONS

• The calculation assumes that the coating is so thin that the light HEPA Filter TiO cat.
intensity across the coating is uniform.
• Assumption validation: According to Beer’s Law, the light
intensity, I, at a certain depth, z, of the catalyst coating is UV

𝐼𝑠 𝐼𝑜
s

where I0 is the light intensity at the surface (2.2 mW/cm2) , ε is

the UV light absorption coefficient of the catalyst (ε = 0.0386
cm2/g), and ρb is the bulk density of the catalyst (3.56 mg/cm3).
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 STEP 4 – USE MODELS AND DATA TO IDENTIFY PRODUCT SPECIFICATIONS

HEPA Filter TiO cat.

• Light intensity across the catalyst bed with a thickness of 14.4
μm
UV

𝐼𝑠 𝐼𝑜
s
• This suggests negligible light attenuation for a 14.4 μm thick
PtTiO2 catalyst coating and the assumption of a uniform rate of
toluene decomposition rT in Eq 5.1 is valid.

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 ACTIVITY 5.1: DESIGN OF WATER
AFILTER
home appliances company decides to produce an all-in-one water treatment system for
treating tap water. It contains a filter to remove suspended solids, a reverse osmosis (RO)
membrane unit to remove dissolved ions, an ultraviolet disinfection system, and a granular
activated carbon filter for final polishing of taste and odor. We have been assigned to
design the RO module (Figure 5.1). The water treatment system is attached to a faucet with
a water flow rate of 7.5 L/min. The water flow rate across the membrane (i.e., permeate
flow rate) is directly proportional to the pressure difference (Pfc − Pp) minus the osmotic
pressure difference (𝜋fc − 𝜋p),

where kw is the mass-transfer coefficient of water across the membrane, A is the membrane
surface area, and Pfc and Pp (𝜋fc and 𝜋p) are the pressure (osmotic pressure) at the feed-
18concentrate side and the permeate side of the membrane, respectively.
 The osmotic pressure 𝜋 is related to the solute concentration C as follows.
𝜋 = CRT
where R is the universal gas constant and T is the temperature. Similarly, the solute
flow rate across the membrane is proportional to the concentration difference,

where ks is the mass-transfer coefficient of solute across the membrane and Cfc and Cp
are the solute concentration in the feed-concentrate side and the permeate side of the
membrane, respectively.
As a measure of product performance, a solute rejection ratio (Rej =1 − Cp∕Cf ) of
99% is required for a feed stream with 100 ppm of Ca2+. Determine the product
specifications, particularly the membrane area and the permeate flowrate.

The following parameters are available:

Pfc = 30 atm Pp = 1 atm T = 298 K
kw = 2.87 × 10−3 m∕h atm ks = 6.14 × 10−4 m∕h
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