CH3133 - Modelling, Simulation and Optimisation for Chemical Engineering

LECTURE 03 – WEEK 03
CONSERVATION EQUATIONS
SYSTEM
Ho Chi Minh City University of technology

Lecturer: Aqsha, Khoa Ta Dang

Ho Chi Minh City University of technology
Institut Teknologi Bandung
2024
Image Souurce: Licdn.com
 LAST WEEK MATERIAL
Simple Model, Lumped vs Distributed Model
PROCESS MODELLING
§ Basic properties in process systems are conservation of mass, energy, and
momentum

§ PROCESS MODELING formulized this into development of mathematical

expressions representing balance equations of mass, energy, and momentum

In + Generation = Out + Consumption + Accumulation

or

In + Production = Out + Accumulation

Source: Adapted from Bernt Nilsson set of lecture notes for the Process Simulation at the Department of Chemical Engineering, Lund Institute of Technology
SIMPLE MODEL
§ A simple model with fewer model parameters is always easier to interpret
compared to an overly complex model.

§ A simple model can sometimes be memorised and the results can be produced
instantaneously, which is especially important for engineers who do daily
troubleshooting of problems in a process plant.

§ Use Rules of Thumb to help build simple models.

Source: Adapted from Univ. Teknologi PETRONAS, Malaysia Course Notes

LUMPED MODEL
§ System boundary can be over a macroscopic object or over a microscopic fluid
element

LUMPED MODELS
o Ignore the spatial aspects of the system
o All spatial properties are lumped together
o Describes the integral averaged value of the properties

Source: Adapted from Bernt Nilsson set of lecture notes for the Process Simulation at the Department of Chemical Engineering, Lund Institute of Technology
MODEL
2. Lumped vs. distributed parameters

A lumped system is one in which the dependent variables of interest are a

function of time alone. Need solving a set of ODEs

A distributed system is one in which all dependent variables are functions

of time and one or more spatial variables. Need solving PDEs
Source: Springer, Satndford CCRMA
LUMPED VS DISTRIBUTED
Lumped models
§ (Almost) perfect mixing – at any particular time
instant, the values of operating conditions are
(approximately) the same at all points within the
unit

Distributed models
§ Imperfect mixing will result in different operating
conditions at different points even at the same
time existence of distributions of conditions over
spatial domains

Source: Comsol Blog, Adapted from Dr. Khalid Alhumaizi set of lecture notes for the Modelling and Simulation of Chemical Engineering Systems, Department of
Chemical Engineering, King Saud University
LUMPED MODEL
Lumped vs. Distributed: Mathematical perspective

Lumped models
§ The model is homogeneous and consistent throughout the entire system
§ Characterized by a single independent variable (time)
§ Model is generally described by ordinary differential equation (ODEs). Varying
only with one independent (Eg: time)

Distributed models
§ Introduce additional independent variables (e.g., one or more spatial coordinates,
particle size, molecular weight, etc.)
§ Involves partial differential equations (PDEs) in time

Source: Adapted from Dr. Khalid Alhumaizi set of lecture notes for the Modelling and Simulation of Chemical Engineering Systems, Department of Chemical
Engineering, King Saud University
HOW TO DECIDE
Deciding on whether to model a system as lumped or distributed models is a
matter of judgment of the modeler

Important considerations:
1. Objectives of the model being constructed (e.g., control, optimization, operating
procedures)
2. Required accuracy
3. Information available for model validation

Source: Adapted from Dr. Khalid Alhumaizi set of lecture notes for the Modelling and Simulation of Chemical Engineering Systems, Department of Chemical
Engineering, King Saud University
THE DEVELOPMENT OF LUMPED MODEL
Mathematical Modelling
§ Encoding physical behaviour as a set of mathematical relations
§ Involves application of fundamental physical laws
§ Consider a subset of the universe as a system of interest – the position of the
boundary separating the system and its surroundings may vary with time

MASS BALANCES Non-reacting system Reacting system

Can be developed for: No production term Production and consumption
§ a specific chemical terms may exist
component,
§ a component mass balance, No principle difference between Difference may exist between
§ a component balance total and component mass total and component mass
balances balances

Source: Adapted from Bernt Nilsson set of lecture notes for the Process Simulation at the Department of Chemical Engineering, Lund Institute of Technology
 THIS WEEK MATERIAL
Conservation Equations
Constitutive Equations
Mass balance of non-reactive systems
Mole balance of non-reactive systems
Energy balance of non-reactive systems
ALGRORITHM DEFINE THE
PROBLEM

USE THE PREVIOUS

HAVE WE YES STEPS TO SOLVE
SOLVE THE
PROBLEM? THE PROBLEM
AGAIN

NO

SEARCH IN
HAS SOMEONE LITERATURES OR
SOLVED THE YES
PROBLEM
TEXTBOOKS TO FIND
PREVIOUSLY? THE STEPS TO SOLVE
THE PROBLEM

NO

BUILD A NEW MODEL

TO SOLVE THE
PROBLEM
STEPS TO BUILD A MODEL

Source: UTP Lecture Notes

STEPS TO BUILD A MODEL

Source: UTP Lecture Notes

STEPS TO BUILD A MODEL

Source:
LAW OF CONSERVATION

Source:
STEPS TO BUILD A MODEL

Source:
STEPS TO BUILD A MODEL

Source:
PROCESS MODELLING

Source:
CONSTITUTIVE RELATION
Constitutive Relation is a relation between two
physical quantities that is specific to a substance and
approximate the response of that substance to
external stimuli, usually as applied field or forces.

They are combined with other equations governing

physical laws to solve a problem.

The first constitutive relation developed was the

Hooke’s Law

Elastic force is proportional to the elongation of a We can describe constitutive

spring relation as “any equation used
F∝x to complete our understanding
of the situation”
Source:
CONSTITUTIVE RELATION
These “Laws” of science are mostly convenient equations that:
§ Hold true under a (usually well-known but often narrow) set of conditions
§ Reflect the state of knowledge at the time they were developed
§ Can be improved by using the most recent knowledge in that field
§ Can come from theory or experiment
§ Should be physically based

Source:
LAW’S OF SCIENCE
Constitutive relations can be:
• Laws of science
• Engineering correlations
• Definitions

LAWS OF SCIENCE:
§ Dalton’s Law – Total Pressure & Partial Pressure Relation
§ Antoine’s Equation – Vapor Pressure as f(T)
§ Fick’s Law – Movement of particles / diffusion
§ Fourier’s Law – Heat transfer by conduction
§ Henry’s Law – Solubility & partial pressure
§ Ideal Gas Law – Gas equation of state
§ Raoult’s Law – Vapor pressure of solvent
§ 2nd Law of Thermodynamics – the state of entropy
Source:
LAW’S OF SCIENCE

Antoine’s Equation

Source:
LAW’S OF SCIENCE

Source:
HEAT TRANSFER MECHANISM

Program Studi Teknik Kimia, Universitas Pattimura, Ambon, Indonesia Image: https://www.thermal-engineering.org/what-is-heat-transfer-definition/
CONDUCTION

Program Studi Teknik Kimia, Universitas Pattimura, Ambon, Indonesia Image: https://www.thermal-engineering.org/
CONVECTION

Program Studi Teknik Kimia, Universitas Pattimura, Ambon, Indonesia Image: https://science4fun.info/heat-transfer/ & Cengel 2014
RADIATION

Program Studi Teknik Kimia, Universitas Pattimura, Ambon, Indonesia Image: nuclear-power.com
LAW’S OF SCIENCE

Fourier’s Law
𝑇% − 𝑇& 𝑑𝑇
𝑄̇ !"#$ = 𝑘𝐴 ≈ −𝑘𝐴
𝑑𝑥 𝑑𝑥

Source:
CORRELATIONS

Source:
CORRELATIONS

(Colburn j-factor)

Source:
ADDITIONAL VARIABLE

𝑚𝑜𝑙 𝑜𝑓 𝐴 𝑟𝑒𝑎𝑐𝑡𝑒𝑑
𝑋' =
𝑚𝑜𝑙 𝑜𝑓 𝐴 𝑎𝑡 𝑡ℎ𝑒 𝑏𝑒𝑔𝑖𝑛𝑛𝑖𝑛𝑔

Source:
COORDINATES

Program Studi Teknik Kimia, Universitas Pattimura, Ambon, Indonesia Image: Cengel 2014
ALGRORITHM SUMMARY DEFINE THE
PROBLEM

USE THE PREVIOUS

HAVE WE
STEPS TO SOLVE
SOLVE THE
THE PROBLEM
PROBLEM
AGAIN

SEARCH IN
HAS SOMEONE LITERATURES OR
SOLVED THE
PROBLEM
TEXTBOOKS TO FIND
PREVIOUSLY? THE STEPS TO SOLVE
THE PROBLEM

BUILD A NEW MODEL

TO SOLVE THE
PROBLEM
ALGRORITHM SUMMARY
MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN
The liquid tank system:
§ The liquid tank system consists of a single
tank with liquid inlet and outlet and a liquid
level that may be desired to be specified.
§ The flow rate entering and leaving the tank
is usually defined as volume flow rate.
§ Liquid tank system are usually non-
reactive.
§ Liquid tank system may be equipped with
heating or cooling mechanism.
§ A system of two or more liquid tanks can be
arranged such that they are interacting with
one another.

Source: Env Sci & Eng Magazine

MODELLING CONSERVATION EQN

Source: Sail Magazine

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: Sail Magazine

MODELLING CONSERVATION EQN

Source: Sail Magazine

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN
Mole Balance of non-reactive system:

Example 2:
Consider a tank of perfectly mixed liquid. A liquid feed stream with volumetric
flowrate F1 containing concentration of ethylene glycol (A) in water (B) is fed into a
mixing tank together with a liquid stream F2 containing a different concentration of
EG in water. The liquid volume holdup of liquid in the tank is V, and its concentration
is Ci, where i = (A,B).

The volumetric flow rate outflow from the tank is F. Because the liquid inside the
tank is perfectly mixed, with liquid concentration of the outflow from the tank is
similar as the concentration of liquid holdup inside the tank.

Develop a model to describe the rate of change of ethylene glycol concentration.

Source: UTP Lecture Notes
MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN
Energy Balance of non-reactive system:

Example 3:
Consider a tank of perfectly mixed liquid. Water flows
with volumetric flowrate F1 and temperature T1 into a
tank. The liquid volume holdup of liquid in the tank is
V, and its density is r. The volumetric flow rate outflow
from the tank is F and temperature T. The liquid
volume in the tank is heated with jacketed steam
supply at T = 130oC.

Develop a model to describe the rate of change of

temperature inside the tank.

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

MODELLING CONSERVATION EQN

Source: UTP Lecture Notes

PLEASE CONTACT ME!

AQSHA
Assistant (Research) Professor
Dept. of Bioenergy Engineering & Chemurgy
Dept. of Chemical Engineering
Institut Teknologi Bandung, Indonesia

Waste to Energy Conversion | Biofuel & Bio-based Product Development |

CCS/BECCS | Biomimicry Catalyst | Thermochemical Conversion

Cell/WA: +62 813 888 70350 | [email protected] | [email protected]

Program Studi Teknik Kimia, Teknik Pangan, Teknik Bioenergi dan Kemurgi, Institut Teknologi Bandung 54