Chemical Product Design 2019/2020

SELECTION

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 Chemical Product Design 2019/2020

The Product Design Procedure

Needs
• What needs should the product fulfill?

Ideas
• What different products could satisfy these needs?

Selection
• Which ideas are the most promising?

Manufacture
• How can we make the product in commercial quantities?

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 Chemical Product Design 2019/2020
SELECTION OF IDEAS

Memilih 1 – 2 ide dari 5 ide yang lolos pada seleksi awal

Kriteria seleksi:
• Chemical and engineering criteria
+ thermodynamics
+ kinetics
• Less objective criteria

SELECTION USING THERMODYNAMICS

• Ingredient substitutions
• Substitutions in consumer products
• Ingredient improvements
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Five or fewer
choices
Only one or
two choices
Rose Rose Gold

Nerd &
Romantic

Possessive
& Loyal

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 Chemical Product Design 2019/2020

Specialty Product

Fine Chemical

Crude Chemical

Natural Resources

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 Chemical Product Design 2019/2020

Mass production Specialties/fine chemicals

Focused on CONVERSION Emphasized on PROPERTIES

‘Conventional’ New view in chemical engineering:

Chemical Engineering Product Engineering

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Only one
Five or or two
fewer choices
choices

Substantial

Selection

Further work
development
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Comparing Product
We already have the
tools & knowledge for
selection: kinetics,
thermodynamics, etc
Technical Basis

Using “comfort”
chemical & &
engineering

Less exact criteria

criteria “safety”

Including customer
reaction & public
opinion

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Effect of risk

Judgment combining
Using
subjective & SELECTION thermodynamics
objective

Using Kinetics

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 Chemical Product Design 2019/2020

Selection Using Thermodynamics

Ingredient Substitutions

Substitution in customer products

Ingredient improvement

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Selection Using Thermodynamics

INGREDIENT SUBSTITUTION
Example:
The most common effort is the search for less volatile; less toxic solvent
Methylene chloride One of the most useful solvents used for fine chemical
manufacture; is carcinogen
Acetone Laboratory mainstay; more toxic than methanol
Methanol Laboratory mainstay; toxic

We want to equal product performance, but with additional benefits, such as safety and cheapness

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 Chemical Product Design 2019/2020

Selection Using Thermodynamics

SUBSTITUTION IN CUSTOMER PRODUCT
Example:
We consider three attributes of skin cream: “thickness", ”smoothness”, and creaminess”.

“thickness” Proportional to square root of instrumentally measured

Newtonian viscosity
It is not Proportional to force of viscous drag
independent “smoothness” Related to coefficient of friction
attribute Inversely proportional to the frictional force during contact
lubrication
“creaminess” Seems to close the geometric average of “thickness” and
“smoothness”

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Selection Using Thermodynamics

Kasus: Wetland Gambut  pH air rendah
Pengaruh pH dalam air sukup besar  kelarutan asam karboksilat (RCOOH)

Solusi:
………………………..

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Selection Using Kinetics

Chemical kinetics

Heat and Mass Transfer coefficient

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Membawa es soda dan teh panas dalam satu botol tanpa masalah apapun,dua

kompartemen diatur pada kedua ujung dengan penyangga di tengah, sehingga

mereka tidak akan mempengaruhi suhu dari masing-masing minuman. Golchi

memiliki tiga kompartemen: kompartemen 11oz pada bagian atas, kompartemen

13oz pada bagian bawah, dan 3.25oz kompartemen pada bagian tengah.

Kedua kompartemen bagian atas dan abwah dilengkapi dengan corong untuk

minum pada tutupnya, sehingga Anda cukup membalik botol untuk meminum dari

tempatnya yang lain, meskipun bagian bawah juga dapat ditarik keluar untuk

digunakan seperti cangkir. Tambahan lain yang membuatnya sangat menarik, Golchi

tidak hanya digunakan untuk minuman tapi juga dapat membawa sup atau apapun

yang serupa. Anda dapat menggunakan kompartemen tengah untuk membawa

apapun, walaupun itu sebenarnya dimaksudkan untuk membawa bubuk protein,

daun teh, dan hal-hal serupa.

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Less Objective Criteria

1. Use independent criteria
When to make subjective judgments 2. Avoid repetition
3. Most important, use a
(Kapan membuat penilaian subjektif)
complete list of criteria

How to make subjective matrices

(Bagaimana cara membuat matriks subjektif)

Why we use selection matrices

(Mengapa menggunakan matriks pilihan)

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Less Objective Criteria

Selecting a Prince of Wales
Parameter Weighting Factor Prince Charles Hapsburg Prince Romanov Prince
Health 0.5 5.5 10 1
Looks 0.5 5.5 1 10
Total 1 5.5 = 0.5 (5.5 + 5.5) 5.5 5.5

Dalam pemilihan Prince of Wales, ada 2 kriteria pemilihan, berdasarkan Health dan looks. Tidak mungkin
seorang pangeran sakit-sakitan dan pula seorang pangeran harus tetap menawan dan penuh percaya diri
tampil di depan publik manakala sedang dirundung masalah. Sehingga weighting factor untuk kedua kriteria
adalah sama besarnya.
Prince Charles as benchmark/ patokan
Hapsburg prince baik dalam kesehatannya, sementara Romanov memiliki riwayat hemophilia
Hapsburg menderita dengan bentuk dagunya, sementara Romanov berpenampilan sangat percaya diri.

Note: Weighting factor akan berbeda apabila parameter yang digunakan juga berbeda, terlebih lagi banyaknya pilihan dan keadaannya
membuat nilai parameter akan berbeda pula

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Risk in Product Selection

• First, we must identify and catalog all risks
• Second, we must decide if these risks can be estimated with engineering tools
• Third, we must compare our possible product in terms of both cost and time
Risk
Assessment [risk level] = [risk probability][risk consequence]

• Reduce the risk before proceeding with product development

• Accept the risk and proceed
Risk
Management

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Membrane Fouling Less Objective Criteria

Weighting Calculator Patent
Criteria Factor Application Application
Membrane durability 0,35 7 2
Production cost 0,35 8 3
Needs: Difficulty of
a. Diinginkan agar proses scaling dapat application 0,05 8 9
diminimalkan. Membrane
productivity 0,25 8 3
b. Diinginkan agar periode penggantian membran
Total 1 7,65 2,95
dapat lebih lama.
c. Dinginkan agar periode pembersihan dapat lebih
lama.
Risk Level Calculation
Idea: Criteria Probability Consequence Risk Level

a. Mengganti anti-scaling yang ada dengan anti- Regulation

acceptability 0,2 0,5 0,1
scaling yang jenis lain.
Operator ability 0,2 0,7 0,14
b. Mengatur dosis anti-scaling dengan jenis yang
Chemical hazard 0,3 0,8 0,24
sama.
Membrane failure 0,5 0,8 0,4

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Home Ventilation

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Home Ventilation

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Kerangka Berpikir
• Mencari masalah terkini berhubungan dengan tema (mis. Sustainability)
1

• Brainstorming mencari produk untuk menyelesaikan problem

2

• Studi literatur
3

• Membuat prototype
4

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 Chemical Product Design 2019/2020
SELECTION OF IDEAS

Memilih 1 – 2 ide dari 5 ide yang lolos pada seleksi awal

Kriteria seleksi:
• Chemical and engineering criteria
+ thermodynamics
+ kinetics
• Less objective criteria

SELECTION USING THERMODYNAMICS

• Ingredient substitutions
• Substitutions in consumer products
• Ingredient improvements
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INGREDIENT SUBSTITUTIONS
• Kesetimbangan reaksi
• Kesetimbangan fase: kelarutan

Contoh: kelarutan → solubility parameter

Substitusi solvent CH2Cl2 dengan yang lebih ramah
lingkungan
1-solvent; 2-solute
 2   20  RT ln x 2  .x12
  V2 1   2 2
δ = solubility parameter

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 Hildebrand Solubility Parameters Chemical Product Design 2019/2020
Standard Hildebrand values from Hansen, Journal of Paint Technology Vol. 39, No. 505, Feb 1967
SI Hildebrand values from Barton, Handbook of Solubility Parameters, CRC Press, 1983
Values in parenthesis from Crowley, et al., Journal of Paint Technology Vol. 38, No. 496, May 1966

Solvent (SI)

n-Pentane (7.0) 14.4

n-Hexane 7.24 14.9
Freon® TF 7.25
n-Heptane (7.4) 15.3
Diethyl ether 7.62 15.4
1,1,1 Trichloroethane 8.57 15.8
n-Dodecane 16.0
White spirit 16.1
Turpentine 16.6
Cyclohexane 8.18 16.8
Amyl acetate (8.5) 17.1
Carbon tetrachloride 8.65 18.0
Xylene 8.85 18.2
Ethyl acetate 9.10 18.2
Toluene 8.91 18.3
Tetrahydrofuran 9.52 18.5
Benzene 9.15 18.7
Chloroform 9.21 18.7
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Trichloroethylene 9.28 18.7
Cellosolve® acetate 9.60 19.1
Methyl ethyl ketone 9.27 19.3
Acetone 9.77 19.7
Diacetone alcohol 10.18 20.0
Ethylene dichloride 9.76 20.2
Methylene chloride 9.93 20.2
Butyl Cellosolve® 10.24 20.2
Pyridine 10.61 21.7
Cellosolve® 11.88 21.9
Morpholine 10.52 22.1
Dimethylformamide 12.14 24.7
n-Propyl alcohol 11.97 24.9
Ethyl alcohol 12.92 26.2
Dimethyl sulphoxide 12.93 26.4
n-Butyl alcohol 11.30 28.7
Methyl alcohol 14.28 29.7
Propylene glycol 14.80 30.7
Ethylene glycol 16.30 34.9
Glycerol 21.10 36.2
Water 23.5 48.0
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SUBSTITUTIONS in CUSTOMER PRODUCTS
Natural products diganti synthetic products, atau sebaliknya.

INGREDIENT IMPROVEMENTS
Meningkatkan performance suatu product.

Contoh: Mencari solvent penyerap H2S dan CO2 yang

kesetimbangannya sangat tergantung suhu.

H2S + R-NH2 ↔ R-NH3+ + HS-

K = [RNH3+][HS-]/[H2S][RNH2]

K = exp(-∆H/RT+∆S/R)
Agar K berubah besar dengan berubahnya suhu T, dipilih panas reaksi
amine-H2S yang besar.

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SELECTION USING KINETICS
• Chemical kinetics
• Heat and mass transfer coefficients

1 1 1
 
k ov k D a k r

Penahanan overall = penahanan transfer massa + penahanan reaksi

kr tergantung data hasil eksperimen
kD cairan 0,001 cm/s ; gas 1 cm/s
Bila reaksi sangat cepat, kecepatan overall tergantung pada
kecepatan mixing.
k = 4(D1+D2)/l2 dengan l = average eddy size of mixing.
Untuk pengadukan cepat, l ≈ 30 μm dan D cairan 10-5 cm2/s

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Koefisien transfer massa dapat didekati dengan: k = D/ δ
δ : tebal boundary layer
D untuk cairan berorder 10-5 cm2/s, gas 0,1 cm2/s
Tebal boundary layer cairan 0,01 cm, untuk gas 0,1 cm.

Koefisien transfer massa didekati dengan Chilton-Colburn analogy:

k = h.ρ/Cp

Situation k (cm/s) h/ρCp (cm/s) h (W/m2.K)

Flowing gases 1 1 3
Flowing water 0.001 0.1 5000
Flowing organics 0.001 0.1 1000
Condensing steam 20000

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 Chemical Product Design 2019/2020
BETTER COFFEE CUP

Diinginkan coffee cup yang dapat mempertahankan kopi selalu “hangat”

selama mungkin (bersuhu 51ºC)

Wedang kopi 200 cm3. Luas total permukaan (termasuk atas dan bawah)
200 cm2.
Ide yang sudah diseleksi awal (preliminary screening):
• Isolated cup
• Self-contained heater cup
• Thermal reservoir that melt at 50ºC

d(MCpT)/dt = -UA (T-To) → (T-To)/(Ti-To) = exp(-t/K)

dengan K = MCp/UA

Dari data eksperimen:

untuk cangkir terbuka U = 57 W/m2.K; cangkir tertutup U = 17 W/m2.K
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Isolated cup
• Tidak dapat mempertahankan suhu tetap, tetapi turun sedikit demi
sedikit.
• Cara ini sederhana, tinggal “optimasi harga” (tebal dinding, berat cup).

Self-contained heater cup

Cup tanpa tutup: U = 57 W/m2.K. Bila suhu lingkungan 25C.
Q = (57 W/m2.K)(0,02 m2)(51 – 25)ºC = 29,6 W
Bila menggunakan listrik, cangkir kurang praktis.
Bila menggunakan baterai, terlalu banyak dan boros.
Ide ini tidak feasible!

Thermal reservoir
Menggunakan lilin (wax) yang meleleh pada 53ºC, dengan hf = 220 J/g
Diinginkan suhu 53ºC dapat dipertahankan selama 20 menit.
Q = (17 W/m2.K)(0,02 m2)(53 – 25)ºC = 9,52 W
M.hf = Q.t → M = (9,52 J/s)(20x60 s)/(220 J/g) = 52 g wax

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LESS OBJECTIVE CRITERIA

Ada faktor yang tidak dapat dikuantifikasi dari customer:

Selera, kebiasaan, dll.

Pedoman menyusun kriteria:

• Gunakan kriteria independen (misal: strength - weight)
• Hindari kriteria yang terulang (repetition)
• Susun complete list: semua faktor yang penting harus
dimasukkan.

Setiap faktor diberi weighting factor

Bila diperlukan, besarnya weighting factor didasarkan pada
survey atau penelitian

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RISK IN PRODUCT SELECTION
New idea (product) has uncertainty!
• How high the level of risk
• Reduction of risk as much as possible

RISK ASSESSMENT
Risk level = (risk probability)x(risk consequence)
• Making a list of any possible difficulties (to produce new product)
• Choose a probability and a consequence of each risk

Probability of risk happening:

neligible: < 0.3; significant 0.5; very likely to happen > 0.9

Consequence of risk:
Small < 0.3; significant 0.5; severe enough to kill project > 0.9

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RISK MANAGEMENT

Two choices:
• Reduce the risk before proceeding to manufacture
• Accept the risk and go on to manufacture

Risk reduction
• Project-based organization
• Reduce risk by research, experiments, process design,
market testing
• Time consuming!
Accept the risk
May lose money but take advantage on (shorter) time
• If the risk is high, keep the investment low. As the risk decreases,
raise the investment.
• Break risk into increments, decide where to stop
3 steps of development
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POWER FOR REMOTE HOUSES

NEEDS
Electricity for heating, cooling, lighting, etc.
Average 3 kW, peak load 15 kW
IDEAS
After selection: diesel generator, wind power, solar power, fuel cell.
SELECTION
Primary criteria: capital cost and operating cost

DIESEL GENERATOR
15 kW generator cost $6500
Uses gasoline, take efficiency 30%, the price $1.6/gallon. Heat of
combustion 733.8 kJ/mol (assume gasoline is C8H8).
Calorie value = 34000 kJ/$
Power consumption per year:
(3 kW)(3600x24x365 seconds) = 95x107 kJ/yr
Fuel cost per year = (95x107 kJ/yr)/(34000 kJ/$) = $2800
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WIND POWER
• 3 kW generator costs $5000
• Needs batteries, at least $20,000
• No running cost

SOLAR POWER
Average intensity 100 W/m2, with efficiency 0.1
For 3 kW, we need = 3000W(24 hr)/(12 hr)/[(100 W/m2)(0.1)] = 600 m2
Solar panel cost $100/m2 (excluding batteries)
Fixed capital > $60,000

FUEL CELL
Generator $15,000
Running cost $1000/yr (hydrogen and oxygen)
Risk assessment:
• Customer acceptability
• Regulation (pollution, local permission)
• Maturity of technology
• Reliability
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WIND POWER

Probability Consequence Risk level

Costumer acceptability 0.5 0.5 0.25
Regulation 0.5 0.7 0.35
Maturity of technology 0.1 0.3 0.03
Reliability 0.7 0.3 0.35

FUEL CELL
Probability Consequence Risk level
Costumer acceptability 0.3 0.5 0.15
Regulation 0.1 0.3 0.03
Maturity of technology 0.5 0.7 0.35
Reliability 0.5 0.5 0.25

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