Model dan Komputasi

Proses
Setia Budi Sasongko
 Bidang Ilmu Teknik Kimia
NERACA MASSA & ENERGI PEMISAHAN

BIDANG ILMU
KINETIKA REAKSI REAKSI KIMIA
BIDANG ILMU
DASAR
PERISTIWA PERPINDAHAN REKAYASA KIMIA
PEMINDAHAN BAHAN
REKAYASA KIMIA
TERMODINAMIKA PENGKONDISIAN BAHAN

PERANCANGAN PABRIK MODEL & KOMPUTASI PROSES

BIDANG ILMU
PENGENDALIAN PROSESPENDUKUNG ANALISIS RANGKAIAN PROSES

REKAYASA
UTILITAS, BAHAN KIMIA LIMBAH
KONSTRUKSI, PENANGANAN
 MODEL & KOMPUTASI
PROSES
STANDAR KOMPETENSI
Setelah mengikuti mata kuliah ini, mahasiswa
mampu:
 Menyusun model matematika sistem teknik
kimia dan
 Menyelesaikan perhitungan berdasarkan

aritmatika digital dengan memakai program

modifikasi rancangan sendiri ataupun
program aplikasi.
Kriteria kualitas pendidikan bdsk
ABET
1. Kemampuan unt mengaplikasikan pengetahuan matematika, science
dan engineering
2. Kemampuan unt merancang & menjalankan eksperimen, serta
menganalisa & menginterpretasi data
3. Kemampuan unt merancang suatu sistem, komponen atau proses unt.
memenuhi suatu kebutuhan
4. Kemampuan unt berperan-serta pada suatu tim yang bersifat multi-
disiplin
5. Kemampuan unt mengidentifikasi, memformulasi dan menyelesaikan
masalah-masalah teknik
6. Pemahaman tentang tanggung jawab profesional dan etika
7. Kemampuan unt berkomunikasi secara efektif
8. Cakupan penget ckp luas unt dpt memahami pengaruh tindakan teknik
yg dapat diambilnya thd masy & dunia global
9. Kesadaran akan pentingnya belajar seumur hidup & kemampuan unt
menjalankannya
10. Pengetahuan ttg isu-isu kontemporer
11. Kemampuan unt memanfaatkan teknik2, keahlian2, dan peralatan2
teknik modern yang diperlukan unt pelaks tugas2 keteknikannya
Bahan bacaan yang digunakan:

 Koyode, C. A., “Fortran Programs for Chemical

Process Design, Analysis, and Simulation”, Gulf
Publishing Comp.,1995.
 Bequette, BW, “Process Dynamics, modeling,
Analysis and Simulation”, Prentice Hall, 1998.
 Chopey, N. P., “Handbook of Chemical Engineering
Calculations”, 2nd ed., Mc Graw Hill Book Comp.,1987.
 Seider, WD., Seader, JD & Lewin DR., “ Process
Design Principles, Synthesis, Analysis and
Evaluation”, John Wiley & Sons, New York, 1999
 Luyben, WL., “Plantwide dynamic simulators in
Chemical Processing and Control”, Marcel Dekker,
2002
 MODEL

Imitation

Simplification of Reality
PEMAHAMAN TTG
MASALAH

PENYEDERHANAAN TANPA
MENGURANGI
PEMIKIRAN UNSUR (DETAIL)

MODEL •Model Fisik

•Model Matematis
•Computer Model
•Kombinasi
 MODEL
A mathematical or physycal system,
obeying certain specified conditions,
whose behavior is used to understand
a physical, biological, or social system
to which it is analogous in some way
(McGraw-Hill Dictionary of Scientific and Technical Term)
 How Models are used
• Marketing: If the price of a product is increased, how much
will the demand decrease?
• Synthesis: What process (sequence of reactors, separation
devices, etc) can be used to manufacture a product?
• Design: What type and size of equipment is necessary to
produce a product?
• Operation: What operating conditions will maximaze the yield
of product?
• Control: How can a process input be manipulated to maintain a
measured process output at a desired value?
• Safety: If an equipment failure occurs, what will be the impact
on the operating personnel and other process equipment?
• Environmental: How long will it take to “biodegrade” soil
contamineted with hazardous waste?
 Peran Komputer dalam Sistem Proses
•Hubungan antar arus
Data base Sub rutin
•Urutan perhitungan
Sifat fisis dan kimia unit peralatan
•Uji konvergensi

DIAGRAM ALIR
PROSES
(PFD)
Data Keluaran:
Masukan •Laporan
•Grafik

Antarmuka
Pengguna
Common Operations in Chemical Processing

Examples of equipment
Operation
Used
Change in Chemical Species Reactor
Distillation, absortion, liquid-liquid
Separation of chemicals
extraction
Separation in phases Settler

Pressure change Pump, compressor, valve, turbine, expander

Temperature or phase
Heat exchanger, conderser
change
Mixing Agitated vessel

Dividing Pipe tee

Size enlargement of solids Pellet mill

Size reduction of solids Jaw screen

Separation of solid by size screen

Modular vs Equations
Oriented
Structure of Equation
oriented mode
FLOWSHEET TOPOLOGY

UNIT OPERATIONS

PHYSICAL PROPERTY
MODELS
Structure of modular simulators

PHYSICAL PROPERTY
MODELS

UNIT OPERATIONS
MODELS

FLOWSHEET
TOPOLOGY
 3

AB

PEMISAH
1 2
Bhn REAKTOR
baku
MIXER

4
Produk

FLUID PROPERTIES

• Karakteristik semua komponen sistem

(Bahan baku, produk, hasil samping)
• Reaksi
Produced Fluids’ Components
 Paraffins
 C1, C2, C3, ... n-C6, ... n-C10, ...
 Non-hydrocarbons
 Light gases, CO2, H2S, N2, ...
 Naphthenes
 Cyclo-C5’s, Cyclo-C6’s, ... Decalines, ...
 Aromatics
 Benzenes, Naphtalenes, ...
 Solid Asphaltenes and Waxes
 Complex molecular structures
Stream Properties
 Physical properties
 Molecular Weight
 Boiling Point
 Thermodynamic properties
 Density (SG, API, Z)
 Enthalpy
 Transport properties
 Viscosity
 Thermal Conductivity
 Surface Tension
Orientasi Persamaan Total

AB

PEMISAH
1 2
FEED REAKTOR

MIXER

Flow rate dari Feed: 100 kmol/jam berupa zat A murni

Batasan / kendala: 4
• 80% dari A dan 40% dari B pada aliran 2 di recycle
• Perbandingan mol A thd mol B pada aliran 1 sebesar
5 berbanding 1
 NERACA MASSA (kmol/jam):

 MIXER
NA1 = NA3 + 100  NA1 – NA3 = 100
NB1 = NB3  NB1 – NB3 = 0

 REAKTOR
NA2 = NA1 – r  - NA1 + NA2 + r = 0
NB2 = NB1 + r  - NB1 + NB2 – r = 0

 PEMISAH
NA3 + NA4 = NA2  - NA2 + NA3 + NA4 = 0
NB3 + NB4 = NB2  - NB2 + NB3 + NB4 = 0
 KENDALA-KENDALA:

 POSISI CABANG:
NA3 = 0.8 NA2  - 0.8 NA2 + NA3 = 0
NB3 = 0.4 NB2  - 0.4 NB2 + NB3 = 0

 HUBUNGAN KOMPOSISI ALIRAN:

NA1 = 5 NB1  NA1 – 5 NB1 = 0

 PERSAMAAN LINEAR DARI NERACA MASSA DLM BENTUK MATRIK

1 0 0 0 1 0 0 0 0   N A1  100
0 1 0 0 0 1 0 0  
0   N B1   0

 1 0 1 0 0 0 0 0 1   N A2  0
  
 0 1 0 1 0 0 0 0  1  N B 2  0
0 0 1 0 1 0 1 0 0   N A3   0
  
0 0 0 1 0 1 0 1 0   N B3  0
0 0  0.8 0 1 0 0 0 0   N A4  0
  
0 0 0  0.4 0 1 0 0 0   N A5  0
  
 1 5 0 0 0 0 0 0 0  r  0
 PENYELESAIAN
NA1 = 227.3 NB1 = 45.45 NA2 = 159.1
NB2 = 113.6 NA3 = 127.3 NB3 = 45.45
NA4 = 31.82 NB4 = 68.18 r = 68.18

Rewrite based on: Tatang, HS, 1989, “Pengantar Komputasi Proses”, diktat kuliah ITB, tk 202.
Suatu reaksi kimia orde satu, irreversibel A  B, dilakukan pada tiga
Reaktor Alir Tangki Berpengaduk (CSTR) secara seri sebagaimana
ditunjukkan pada gambar.
100 lt/jam

1000 lt/jam
CA0 = 1 mol/ltr
V1, k1, CA1 V2, k2, CA2 V3, k3, CA3 1000 lt/jam

CA1 CA2 CA3

Kondisi suhu operasi berbeda pada tiap reaktor yang ditunjukkan

dengan nilai konstanta kecepatan reaksi, ki yang berbeda, demikian
juga volume tiap reaktor berbeda sebagaimana ditunjukkan pada tabel
Reaktor (i) Vi, liter ki, jam-1

1 1000 0,1

2 1200 0,2

3 500 0,4
Modular Process Simulators
• Process simulators model processes by a
sequence of calculation blocks and streams

Separator Valve Column

Components, Thermo Methods, Streams, Unit Operations, Simulation Control

Calculation Blocks
• Calculation blocks model process equipment
• All input data must be specified by the user or by
calculated values from a previous block
• Inputs: Inlet streams data and equipment
parameters (HYSYS accepts outlet streams as an input)
• Outputs: Outlet streams data and equipment
results
Input Stream(s) Calculation Output Stream(s)
Block
Input Parameter(s) Output Parameter(s)

Block
Data Storage
Steps to Modular Simulation
• Select Components & Thermodynamic Models
• Specify Process Configuration
– Define Feed Streams
– Select Unit Operation Models
• Establish Streams/Unit Operations Connectivity
• Provide Operating Parameters
• Run Simulation (if needed)
• Check Results
Problem 1: Flowsheet
Problem 1: Results
Penyelesaian
pendekatan
Metoda Numerik
The Arrehenius rate expression is used to find rate constant as a function of
temperature:

k  A exp(  E / RT )
Rate constant as afunction of temperature for a first order reaction
are shown below:

k, min 0.0014 0.0026 0.0047 0.0083 0.0014 0.023 0.038 0.059 0.090

T, K 300 310 320 330 340 350 360 370 380

The growth rate expression for a biochemical reaction, using Monod model is

 max .x

km  x

, hr-1 0.25 0.31 0.36 0.43 0.45 0.47 0.50 0.52

x, g/ltr 0.1 0.15 0.25 0.5 0.75 1 1.5 3

1 /   1 /  max   km /  max 1 / x

Tangki Pengaduk Non Adiabtis

Tank inlet

Fi, Ti
Jacket inlet

Fji, Tji

Tank outlet
Jacket outlet
F, T
Fj, Tj
Bentuk persamaan:

UA.Ti  T 
 Ti  T  
dT F
dt V V .C p
UA.T j  T 
dT j

Fj
T  Tj 
V j  j .C pj
ji
dt Vj
Pada Kondisi Steady State
 Fs = 1 ft3/min
 Tis = 50 F
 Tjis = 200 F
 Ts = 125 F
 Tjs = 150 F
 RhoCp = 61.3 Btu/F.cuft
 RhoCpj = 61.3 Btu/F.cuft
 V = 10 cuft
 Vj = 1 cuft

Hasil: UA = 183.9 Btu/F.min

Fjs = 1.5 cuft/min
Konsep-konsep fundamental
untuk model matematis

1. Neraca masa (material balance)

2. Neraca energi (energy balance)
3. Kesetimbangan (equilibrium):
 Fisis (kesetimbangan fasa)
 Kimiawi
 Biologis
4. Proses-proses kecepatan (rate processes):
 Fisis (kesetimbangan fasa)
 Kimiawi
 Biologis
5. Ekonomi
6. Humanitas
Unsur-unsur utama dalam suatu Model
(Jorgensen, 1994):

1. Forcing function or external variables

2. State variables
3. Mathematical equations
4. Parameters
5. Universal constants
Pemodelan
 Menggambarkan kinerja suatu sistem
proses
 Membangun persamaan matematis
yang dapat menggambarkan kinerja
suatu sistem proses (fisik)
Persamaan matematis yang
mungkin terbentuk
Contoh model kasus 1
Contoh model kasus 1
(ringkasan)
Contoh model kasus 2
Profil Konsentrasi
Hubungan antara [A] dan [C] sbg fungsi waktu t-Cb
1 3E-5

0.8 2.4E-5
Ca
Konsentrasi, mol/liter

0.6 1.8E-5

Cb
0.4 1.2E-5

0.2 6E-6
Cc

0 0
0 8 16 24 32 40 0 8 16 24 32 40
Waktu, t (detik) t
Sistem Pengendalian
Hasil simulasi dng merubah nilai K
t-T untuk K=2
68 t-T untuk K=4
84

64
76

60
68
T

T
56
60

52
52

48
44
0 8 16 24 32 40
0 8 16 24 32 40
t
t
t-T untuk K=6
95

85

75
T

65

55

45
0 8 16 24 32 40
t
Sekian