School of Chemical Engineering and Technology

Tianjin University

Fascinating Applications of Advanced

Engineering Mathematics (AEM) in
Chemical Engineering

Name: PEWEE DATOO KOLUBAH

STUDENT NO.: 6316000021

MAJOR: CHEMICAL ENGINEERING & TECHNOLOGY

COURSE: ADVANCED ENGINEERING MATHEMATICS

SUBMITTED TO: PROF. JINGTAO WANG, PHD

DATE: June 18, 2018

Introduction
Chemical Engineers use their knowledge of chemistry, math and physics to create and design
processes and equipment, and manufacture products. It is challenging for chemical engineers
to perform their duties without the use of mathematical knowledge which has enable
researchers to develop amazing technologies to make their work better and easier. As the
complexity of the challenges which are faced by engineers’ increases so does the advanced
engineering mathematical skill required to understand and solve them.
This paper of the application of advanced engineering mathematics in chemical engineering,
provides basic understanding on advanced engineering topics that are applicable in the design
and production of consumers’ products in chemical industries. The work of chemical engineers
cannot be done without the application of engineering mathematical methods in the analysis of
fluid flow, heat transfer, transport phenomena, thermodynamics, reaction engineering and
many other interesting areas within chemical engineering. Mathematics is the focus point for
engineers and it provides the basic approach to understanding complex engineering problems.
Mathematical techniques and their application to the analytical and numerical solution of
chemical engineering problems are the basic ideas behand this paper.
Chemical engineers need high through put mathematical technology, matrices and
determinants, ordinary partial differential and integral equations, iterative solution of algebraic
equations, numerical analysis, solution of ordinary differential equations as well as modeling
and computation of effective production process. Approximation and Integration, Solution of
Equations, Complex Variables, Integral Transforms, Ordinary Differential Equations as Initial
Value Problems, Ordinary Differential Equations as Boundary Value Problems, Laplace
Transform, Partial Differential Equations, Integral Equations, Optimization, Probability and
Statistics, and Multivariable Calculus Applied to Thermodynamics are important mathematical
knowledge that are require in chemical engineering.
 Table of Contents
Definition and overview of AEM …………………………………………………….…..1

Basic Topics Cover in AEM …………………………..………………………………….1

Application of AEM in Chemical Engineering ………………………….………….….…1

Solution Equations: ………………………………………………………....……………..1

Solutions with Iterative Methods ………………………………………...…………….….2

Nonlinear Algebraic Equations ……………………………………………...………….…2

Linear Difference Equations …………….……………………………………………. ….3

Least Squares …………………………….……………………….….……………3
Numerical Integration and Differentiation…………………………….…………..4
Laplace Transforms……………………………………………………………...…4
Solution of Partial Differential Equations by Using Transforms………………………..…5

Ordinary Differential Equations as Initial Value Problems…………………………….….6

Runge – Kutta Methods…………………………………………………………………....6

Stiffness…………………………………………………………………………………….7

Ordinary Differential Equations as Boundary Value Problems………………………........7

Multivariable Calculus Applied to Thermodynamics……………………………………...7

Partial Differential Equations………………………………………………………………8

Vector Differential Calculus. (Grad, Div, Curl)………………………………...….8

Conclusion……………………………………………………………………….....9

References……………………………………………………………………….....10
 1

Definition and overview of Advanced Engineering Mathematics (AEM)

Advanced Engineering Mathematics provides comprehensive and contemporary coverage of
key mathematical ideas, techniques, and their widespread applications, for students majoring
in engineering, computer science, mathematics and physics. It is intended to introduce students of
engineering, physics, mathematics, computer science, and related fields to those areas of applied
mathematics that are most relevant for solving practical problems within their field of study. Advanced
Engineering Mathematics promotes the application of mathematics to problems from engineering and the applied
sciences. It emphasizes the intrinsic unity, through mathematics, of the fundamental problems of applied
and engineering science. Coverage includes: Ordinary and partial differential equations, Integral
equations, Asymptotics, Variational and functional-analytical methods, Numerical analysis,
Computational methods. Advanced Engineering Mathematics is applicable in engineering, applied
science and many other fields relating to the sciences. Some applied fields include: Continuum
mechanics, Stability theory, Wave propagation, Diffusion, Heat and mass transfer, Free-boundary
problems; Fluid mechanics: Aero- and hydrodynamics, Boundary Layers, Shock waves, Fluid
machinery, Fluid−structure interactions, Convection, Combustion, Acoustics, Multiphase flows,
Transition and turbulence, Creeping flow, Rheology, Porous-media flows, Ocean engineering;
Atmospheric engineering; Solid mechanics: Elasticity, Classical mechanics, Nonlinear mechanics,
Vibrations, Plates and shells, Fracture mechanics, Biomedical engineering, Geophysical engineering,
Reaction-diffusion problems; and related topics.

Basic Topics Cover in AEM

Major Topics cover in AEM include; Ordinary Differential Equations (ODEs), Linear Algebra. Vector
Calculus, Fourier Analysis, Partial Differential Equations (PDEs), Complex Analysis, Numeric
Analysis, Optimization, Graphs, Probability, and Statistics.
In this paper, the application of some of these topics in Chemical Engineering will be discussed and the
discussion with be backed by examples to give basic understanding about the application of AEM in
the field of chemical engineering.

Application of AEM in Chemical Engineering

In this section, the application of AEM in chemical engineering will be discuss.

Solution Equations:
Every chemical engineer must encounter problems involving algebraic solutions. The mathematical
model of chemical engineering analysis always requires basic understanding on solving algebraic
equations. They can be sets of algebraic equations, differential equations, and/or integral equations.
Mass and energy balances of chemical processes typically lead to large sets of algebraic equations:

𝑏11 𝑋1 + 𝑏12 𝑋2 = 𝑎1
𝑏21 𝑋1 + 𝑏22 𝑋2 = 𝑎2
The analysis of the reaction taking place in a stirred tank involves solving of Mass balance
equations of the stirred tank reactor which may lead to ordinary differential equations:
𝜕𝐶𝐴
= 𝑓(𝐶𝐴 (𝑡))
𝜕𝑡
In modeling the radiative heat transfer within a heat exchanger or between a heat exchanger
and the environment, the analysis may lead to an integral equation of the form:
1
𝑦(𝑥) = 𝑔(𝑥) + 𝛼 ∫ 𝐾(𝑥, 𝑠)𝑓(𝑠)𝑑𝑠
0
Were 𝛼 𝑖𝑠 time constant in polymer flow and K is thermal conductivity.
Even when the model is an integral equation or a differential equation, the most basic step in the
algorithm is the solution of sets of algebraic equations. The solution of a set of algebraic equation is a
mathematical skill that is apply in most chemical engineering calculations.
 2
Solutions with Iterative Methods
The application of iterative method in chemical engineering can be seen when solving problems
involving Equations of State, Energy Balances, and Mass Balances involving nonlinear reactions.
Iterative methods have a rich historical background in chemical engineering. Some of them include;
Jacobi, and Gauss–Seidel methods. As the speed of computers increases, direct methods become
preferable for the general case, but for large three-dimensional problems in chemical engineering,
iterative methods are often used.
For example, given the pressure and temperature of a reaction mixture in a tank, iteration
method can be used to determine the volume of the reaction mixture in the tank.
Example 1: Calculate the molar volume of isobutane vapor at 360K and 1.3Mpa. Apply iteration
method to the Truncated virial equation up to two terms. 𝐵 = −0.388𝑚3 𝑚𝑜𝑙 −1
𝐶 = −0.026 ∗ 10−6 𝑚3 𝑚𝑜𝑙 −1
𝑆𝑜𝑙𝑢𝑡𝑖𝑜𝑛:
𝐵 𝐶 𝑅𝑇 𝐵𝑅𝑇 1 𝐶𝑅𝑇 1
𝑍 = 1 + 𝑉 + 𝑉2 𝑉0 = 2.302𝐸 −3 𝑚3 𝑚𝑜𝑙 −1 𝑉𝑖+1 = ( 𝑃 ) + ( )𝑉 + ( ) 𝑉2
𝑃 𝑖 𝑃 𝑖
i Vi Vi+1
0 0.002302 0.001799
1 0.001799 0.001619
2 0.001619 0.001521
3 0.001521 0.001513
𝑇ℎ𝑒𝑟𝑒𝑓𝑜𝑟𝑒 𝑓𝑟𝑜𝑚 𝑡ℎ𝑒 𝑖𝑡𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝑚𝑒𝑡ℎ𝑜𝑑 𝑤𝑒 𝑜𝑏𝑡𝑎𝑖𝑛𝑒𝑑 𝑉 = 0.001513𝑚3 𝑚𝑜𝑙 −1
Nonlinear Algebraic Equations
Nonlinear algebraic equations can be solved using skillful iteration methods like the Fixed-point iteration,
Newton’s method and Secant Method. These methods can be used to solve nonlinear equations when
there is no formula for the exact solution available. When solving by iteration, we start from an initial
guess X0 and compute step by step to get a reasonable solution that is significantly closed to the real
solution. In chemical engineering, these methods can be applied to solve complex problems. For
example, the secant method can be used to find the boiling point of a liquid mixture using basic
relationships and properties of each of the chemical components in the mixture.
Example 2: Fluid flow from a distillation tower at a height h, through a pipe of diameter D and length L
which is connected to the tower running vertically downward and then laid horizontally to the point of
delivery. The flow rate (Q) for the system can be calculated using equation one (1). Find the roots using
the secant method when Q1=1.0m3/s and Q0=5.0m3/s.
0.17
𝐸𝑞𝑢𝑎𝑡𝑖𝑜𝑛 1. 𝑄=
0.15
√ +2
𝑄 0.3
𝑆𝑜𝑙𝑢𝑡𝑖𝑜𝑛:
𝑄𝑛 − 𝑄𝑛−1
𝐼𝑡𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝐹𝑜𝑟𝑚𝑢𝑙𝑎 𝑓𝑜𝑟 𝑆𝑒𝑐𝑎𝑛𝑡 𝑀𝑒𝑡ℎ𝑜𝑑: 𝑄𝑛𝑡1 = 𝑄𝑛 − 𝑓(𝑄𝑛 )
𝑓(𝑄𝑛 ) − 𝑓(𝑄𝑛−1 )
0.17
𝑓(𝑄) = 𝑄 −
0.15
√ +2
𝑄 0.3
n Q2 |𝑄2 − 𝑄1 |
1 0.1156 0.8840
2 0.1124 0.0032
3 0.1124 0.0000
4 0.1124 0.0000
 3
Linear Difference Equations
Difference equations arise in chemical engineering from staged operations, such as distillation or
extraction, as well as from differential equations modeling adsorption and chemical reactors. The value
of a variable in the n-th stage is noted by a subscript n. For example, if yn,i denotes the mole fraction
of the i-th species in the vapor phase on the n-th stage of a distillation column, xn,i is the corresponding
liquid mole fraction, R the reflux ratio (ratio of liquid returned to the column to product removed from
the condenser), and Kn,I the equilibrium constant, then the mass balances about the top of the column
give

𝑅 1
𝑦𝑛+1,𝑖 = 𝑋𝑛,𝑖 + 𝑋
𝑅+1 𝑅 + 1 0,𝑖

and the equilibrium equation gives

𝑦𝑛,𝑖 = 𝐾𝑛,𝑖 𝑋𝑛,𝑖

If these are combined,

𝑅 1
𝐾𝑛+1,𝑖 𝑋𝑛+1,𝑖 = 𝑋𝑛,𝑖 + 𝑋
𝑅+1 𝑅 + 1 0,𝑖

is obtained, which is a linear difference equation.

Least Squares
When fitting chemical engineering experimental data to a mathematical model, it is necessary to
recognize that the experimental measurements contain error; the goal is to find the set of parameters in
the model that best represents the experimental data. In a least-squares parameter estimation, it is desired
to find parameters that minimize the sum of squares of the deviation between the experimental data and
the theoretical equation. Least square method is divided into Linear least square, Polynomial, Nonlinear
and Multiple Regression. In Chemical engineering, linear least square method can be used to calculate
the values of the different variables contain in a reaction rate equation.

Example 3: The progress of a homogeneous chemical reaction is followed and it is desired to evaluate
the rate constant and the order of the reaction. The rate law expression for the reaction is known to
follow the power function form −𝑟 = 𝑘𝐶 𝑛
Use the data provided in the table to obtain n and k .
CA(gmol/1) 4
-rA gmol/1s 0.398

𝑺𝒐𝒍𝒖𝒕𝒊𝒐𝒏:
Taking natural ln of both sides of Equation (1), we obtain
ln  r   ln k   n ln C 
Let
z  ln  r 
w  ln C 
a0  ln(k ) implying that k  e a0 (2)
a1  n (3)
We get
z  a0  a1 w
This is a linear relation between z and w, where
 4
n n n
n wi z i   wi  z i
a1  i 1 i 1 i 1
2

n
 n
n w    wi 
2
i
i 1  i 1 

 n   n 
  zi    wi 
a 0   i 1  a  i 1 
 n  1 n 
   
    (4a, b)

I C -r W Z W*Z W2
1 4 0.398 1.3863 -0.92130 -1.2772 1.9218

𝑎1 = −3.38𝐸−6 𝑎0 = −0.9213
𝑘 = 𝑒 −0.9213 𝑛 = 𝑎1 = −3.38𝐸 −6
Therefore, the model of progress of that chemical reaction is
−6
−𝑟 = 𝑒 −0.9213 𝐶 −3.38𝐸 .

Numerical Integration and Differentiation

Numerical integration involves the numeric evaluation of an integral function that describes a given
process.
𝑣=𝑏
𝑄=∫ 𝑓(𝑣)𝑑𝑣
𝑣=𝑎
Where a and b are given and f(v) is a function given analytically by a formula or empirically by a table
of values that describe a given region. Q is the area under the curve between a and b.
In Chemical industries, engineers often encounter integrals that are very difficult or even impossible to
solve analytically. In most cases, numerical methods involving integration and differentiation are used.
Numerical methods in chemical engineering deals with a broad range of problems starting from
calculations on atomic or molecular level to the optimization of complete chemical plants. The
following areas in chemical engineering heavily relied on numerical integration or differentiation to
find solutions; quantum mechanical calculations of atoms and molecules, numerical treatment of
chemical reaction kinetics, transport processes, mathematical description of unit operations, stationary
and in-stationary simulation and optimization of chemical plants. For example, Modelling of unit
operations like chemical reactors, multi-pass heat exchangers or distillation columns leads to sets of
ordinary and partial differential equations sometimes augmented by algebraic equations. Under
transient conditions one gets mixed systems of differential and algebraic equations that are very difficult
to evaluate by the usual methods of calculus.

Laplace Transforms
The application of the Laplace transforms is one of the classical approaches for the solution of various
chemical engineering problems described by linear ordinary or partial differential equations. The
Laplace transform, f(p), of a given piece-wise continuous time domain function, f(0), which is of
exponential order is defined by
∞
𝑓(𝑝) = ∫ exp[−𝑝𝜃] 𝑑𝜃
0
However, this approach is not universally applicable. Its natural limitations are determined by the
possibilities for solving the relevant equations in the Laplace domain and the subsequent performance
of the inverse transformation of this solution. Although, in many chemical engineering problems
described by ordinary or partial differential equations with constant coefficients it does not pose
substantial difficulties to obtain the corresponding Laplace domain solution, these solutions are rather
 5
complicated functions of p and their analytical inverse transformation is exceedingly difficult if not
impossible.
It has been shown that for the solution of mass-transfer problems in chemical engineering fluid flow,
when a flat velocity profile is assumed, the numerical techniques employing expansion of the Laplace
domain solution into series of Chebyshov polynomials of the first kind or Fourier sine series give best
results with respect to precision and consumption of computation time.

Example 4: A large deep bath contains molten steel, the surface of which is in contact with air. The
oxygen concentration in the bulk of the molten steel is 0.03% by mass and the rate of transfer of oxygen
from air is sufficiently high to maintain the surface layers saturated at a concentration of 0.16% by
weight. The surface of the liquid is disrupted by gas bubbles rising to the surface at a frequency of 120
bubbles per 𝑚2 of surface per second. Each bubble disrupts and mixes about 15𝑐𝑚2 of the surface layer
into the bulk. On the assumption that the oxygen transfer can be represented by a surface renewal model,
obtain the appropriate equation for mass transfer by starting with fick’s second law of diffusion and
calculate:
a. The mass transfer coefficient.
b. The mass flux of oxygen at the surface.
c. The corresponding film thickness for a fil model, giving the same mass transfer.
𝑆𝑜𝑙𝑢𝑡𝑖𝑜𝑛:
𝑚2
Diffusivity of oxygen in steel = 1.2𝐸 −8 𝑠
𝑘𝑔
Density of molten steel = 7100 𝑚3
𝜕𝐶 ′ 𝜕2 𝐶 ′
𝜕𝑡
=𝐷 𝜕𝑦 2
𝑡 = 0 < 𝑦 < ∞ 𝐶′ = 0 𝑡 > 0 𝑦 = 0 𝐶 ′ = 𝐶𝑖′ 𝑡 > 0 𝑦 = ∞ 𝐶′ = 0
∞
𝜕𝐶′ 𝐶𝑖′ 𝐶𝑖′
𝐶 ′ = ∫ 𝑒 −𝑠𝑡 𝑑𝑡 𝑦 = ∞ 𝐶′ = 0 𝐴 = 0 𝑦 = 0 𝑐′ = 𝐵=
0 𝜕𝑡 𝑝 𝑝
𝐶𝑖′ −√(𝑑𝑝)𝑦 𝑑𝐶 ′ ′ 𝑝
𝐶𝑖 −√(𝑑)𝑦 𝜕𝐶 ′ ′
𝐶𝑖 1 −𝑦 2

𝐶′ = 𝑒 =− 𝑒 =− 𝑋 𝑒 4𝐷𝑡
𝑝 𝑑𝑦 √𝑝𝑑 𝜕𝑦 √𝐷 √𝜋𝑡
𝜕2𝐶 ′ 𝜕 2 𝐶𝑖 𝑃 ′ 𝑃
√( )𝑦
𝑃
−√( )𝑦
𝑃𝐶 ′ = 𝐷 − 𝐶 = 0 𝐶 ′
= 𝐴𝑒 𝐷 + 𝐵𝑒 𝐷 𝑦=∞ 𝑦=0
𝜕𝑦 2 𝜕𝑦 2 𝐷
′
𝐶 =0 𝐴=0

1
𝐴𝑣𝑒𝑟𝑎𝑔𝑒 𝑆𝑢𝑟𝑓𝑎𝑐𝑒 𝑎𝑔𝑒 𝐷𝑢𝑟𝑎𝑡𝑖𝑜𝑛 = ( ) = 5.558
0.18
0.16 − 0.03 𝐾𝑔𝑂2 0.0013 𝐾𝑚𝑜𝑙
𝐶𝑖 = = 0.0013 =( ) × 7100 = 0.2885 3
100 𝐾𝑔𝑠𝑡𝑒𝑒𝑙 32 𝑚
𝐷
𝑇ℎ𝑒 𝑚𝑒𝑎𝑛 𝑟𝑎𝑡𝑒 𝑜𝑓 𝑡𝑟𝑎𝑛𝑠𝑓𝑒𝑟 𝑁𝐴 = 2𝐶𝑖 ( ) 0.5
𝜋𝑡

𝜕𝐶′ 𝐶′𝑖 1 − 𝑦2 𝜕𝐶 ′ ′ 𝐷
=− × 𝑒 4𝐷𝑡 (𝑁𝐴 )𝑡 − 𝐷( )𝑦 = 0 = 𝑐√
𝜕𝑦 √𝐷 √𝜋𝑡 𝜕𝑦 𝜋𝑡
15
120 × = 0.18
10000

Solution of Partial Differential Equations by Using Transforms

Chemical Engineers often experience some challenges in solving heat equations or diffusion equations.
Solution of partial differential Equation by using transform is a suitable method that can be apply in
solving such problems.

𝝏𝑻 𝝏𝟐 𝑻 𝝏𝑪 𝝏𝟐 𝑪
𝜸𝑪𝒑 =𝒌 𝟐 𝒐𝒓 =𝑫 𝟐
𝝏𝒕 𝝏𝒙 𝝏𝒕 𝝏𝒙
This equation can be solved on an infinite domain −∞ < 𝑥 < ∞, a semi-infinite domain 0 ≤ 𝑥 < ∞,
or a finite domain 0 ≤ x ≤ L. At a boundary, the conditions can be a fixed temperature
 6
T (0, t) = T0 (boundary condition of the first kind, or Dirichlet condition), or a fixed flux
𝜕𝑇
−𝑘 𝜕𝑥 (0, 𝑡) (boundary condition of the second kind, or Neumann condition), or a combination
𝜕𝑇
[−𝑘 (0, 𝑡) = h [T (0,t) − T0] (boundary condition of the third kind, or Robin condition). The functions
𝜕𝑥
T0 and q0 can be functions of time. All properties are constant (_, Cp, k, D, h), so that the problem remains
linear. Solutions are presented on all domains with various boundary conditions for the heat conduction
problem.

Ordinary Differential Equations as Initial Value Problems

A differential equation for a function that depends on only one variable (often time) is called an ordinary
differential equation. The general solution to the differential equation includes many possibilities; the
boundary or initial conditions are required to specify which of those are desired. If all conditions are at
one point, the problem is an initial value problem and can be integrated from that point on. If some of
the conditions are available at one point and others at another point, the ordinary differential equations
become two-point boundary value problems. Initial value problems as ordinary differential equations
arise in control of lumped-parameter models, transient models of stirred tank reactors, polymerization
reactions and plug-flow reactors, and generally, in models where no spatial gradients occur in the
unknowns.

Example 5: A tank contains a liquid of volume V(t), which is polluted with a pollutant concentration
in percentage of C(t) at time t. To reduce the pollutant concentration, an inflow of rate a Qin is injected
to the tank. Unfortunately, the inflow is also polluted but to a lesser degree with a pollutant
concentration Cin. it is assumed that the inflow is perfectly mixed with the liquid in the tank
instantaneously. An outflow of rate Qout is removed from the tank as shown. Suppose that, at time t=0,
the volume of the liquid is V0 with a pollutant concentration of C0.

Inflow

Qin, Cin

Outflow

Qout, C(t)

Figure 1. Cylindrical Tank containing fluid

The equation governing the pollutant concentration c(t) is given by
𝑑𝑐(𝑡)
[𝑉0 + (𝑄𝑖𝑛 + 𝑄𝑜𝑢𝑡 )𝑡 + 𝑄𝑖𝑛 𝑐(𝑡) = 𝑄𝑖𝑛 𝑐𝑖𝑛 ,
𝑑𝑡
With initial condition c(0)=c0. This is a first-order ordinary differential equation.

Runge – Kutta Methods

Runge – Kutta methods are explicit methods that use several function evaluations for each time step.
The general form of the methods is
𝑣
𝑛+1 𝑛
𝑦 = 𝑦 + ∑ 𝜔𝑖 𝑘𝑖
𝑖=1
With 𝑘𝑖 = ∆𝑡𝑓(𝑡 𝑛 + 𝐶𝑖 ∆𝑡, 𝑦 𝑛 + ∑𝑖−1
𝑗=1 𝑎𝑖𝑗 𝑘𝑗

Runge – Kutta methods traditionally have been written for f (t, y) and that is done here, too. If these
equations are expanded and compared with a Taylor series, restrictions can be placed on the parameters
of the method to make it first order, second order, etc. For most practical applications in chemical
engineering, the fourth-o rder Runge-kutta method is mostly used because of it the accuracy of its
computations.
 7
Stiffness
Why is it desirable to use implicit methods that lead to sets of algebraic equations that must be solved
iteratively whereas explicit methods lead to a direct calculation? The reason lies in the stability limits;
to understand their impact, the concept of stiffness is necessary. When modeling a physical situation,
the time constants governing different phenomena should be examined. Consider flow through a packed
bed, as illustrated in Figure 2.

Figure 2. Flow through

packed bed

The superficial velocity u is given by

𝑄
𝑢 = 𝐴𝜑 where Q is the volumetric flow rate, A is the cross-sectional area, and ϕ is the void
𝐿 𝜑𝐴𝐿
fraction. A time constant for flow through the device is the 𝑡𝑓𝑙𝑜𝑤 = 𝑢 = 𝑄
.

Ordinary Differential Equations as Boundary Value Problems

Diffusion problems in one-dimension lead to boundary value problems. The boundary conditions
are applied at two different spatial locations: at one side the concentration may be fixed and at the other
side the flux may be fixed. Because the conditions are specified at two different locations the problems
are not initial value in character. To begin at one position and integrate directly is impossible because
at least one of the conditions is specified somewhere else and not enough conditions are available to
begin the calculation. Thus, methods have been developed especially for boundary value problems.
Examples include heat and mass transfer in a slab, reaction – diffusion problems in a porous catalyst,
reactor with axial dispersion, packed beds, and countercurrent heat transfer. The technique of separating
variables is a unique method that can be used in the analysis of fluid flow in a pipe.

2R r V(r)

Figure 3. Fluid Flow in Pipe

Multivariable Calculus Applied to Thermodynamics
Many of the functional relationships required in chemical engineering thermodynamics are direct
applications of the rules of multivariable calculus. State functions depend only on the state of the
system, not on its past history or how one got there. If z is a function of two variables x and y, then z (x,
y) is a state function, because z is known once x and y are specified. The differential of z is
𝑑𝑧 = 𝑀𝑑𝑥 + 𝑁𝑑𝑦
The line integral ∫𝐶 𝑀𝑑𝑥 + 𝑁𝑑𝑦.
These applications are for closed systems with constant mass. If a process is reversible and only p – V
work is done, one form of the first law states that changes in the internal energy are given by the
following expression 𝑑𝑢 = 𝑇𝑑𝑠 − 𝑃𝑑𝑣 If the internal energy is considered a function of S and V, then
𝜕𝑈 𝜕𝑈
𝑑𝑢 = ( 𝜕𝑆 ) 𝑑𝑠 + (𝜕𝑉 ) 𝑑𝑣.
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Partial Differential Equations
Partial differential equations are differential equations in which the dependent variable is a function of
two or more independent variables. These can be time and one space dimension, or time and two or
more space dimensions, or two or more space dimensions alone. Problems involving time are generally
either hyperbolic or parabolic, whereas those involving spatial dimensions only are often elliptic.
Because the methods applied to each type of equation are very different, the equation must first be
classified as to its type. Chemical Engineers often apply skillful techniques from partial differential
equations. Hyperbolic equation is one important type of PDE that chemical engineers used in the
analysis of unsteady phenomena with convection. One equation that is commonly used as a prototype
𝜕𝐶 𝜕𝐹(𝐶)
equation is 𝜕𝑡 + 𝜕𝑥 = 0. Depending on the interpretation of c and F (c), this can represent
accumulation of mass and convection. With F (c) = u c, where u is the velocity, the equation represents
a mass balance on concentration.

Vector Differential Calculus. (Grad, Div, Curl)

Vector calculus is very important in the analysis of complex engineering problems. Vector and vector
functions in 3-space are unique modeling tools that can be used to model and solve chemical
engineering problems involving fluid flow, heat flow, and some problems in thermodynamic. The most
common examples of vector analysis in chemical engineering are the stress dyadic (or tensor) and the
velocity gradient (in fluid flow). For example the Navier-stokes equations are differential equations that
describe the force balance at a given point within a fluid.
𝜕𝑢 1
= (𝑈. ∇)𝑢 = ∇𝑃 + 𝑢∇2 𝑢
𝜕𝑡 𝜌
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Conclusion
Advanced Engineering Mathematics is an important engineering tool that provides skillful
approaches to solve complex engineering problems. Chemical engineers often relied on
various mathematical methods to model complex reaction or production processes in chemical
industries. The demand for more skillful mathematical analysis to solve chemical engineering
problems will continue to be on the increase in respond to the need for more consumer
products. There is evidence of great interest among industrial colleagues on the use of
mathematical models as a substitute for expensive experimentation. The use of computational
fluid mechanics is an example of such effort. Possibly, academic researchers addressing
industrial needs more directly have favorably influenced such trends. The use of symbolic
software such as Mathematica has been steadily rising in academic instruction of courses in
mathematics.
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3. Jingtao Wang, Ph.D: Advanced Engineering Mathematics Lecture Notes, School of Chemical
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4. D. G. Duffy: Transform Methods for Solving Partial Differential Equations, Chapman &
Hall/CRC, New York 2004.
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6. E. Kreyzig: Advanced Engineering Mathematics, 9th ed., John Wiley & Sons, New York 2006.
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9. W. F. Ames: Numerical Methods for Partial Differential Equations, 2nd ed., Academic Press,
New York 1977.
10. D. Ramkrishna, N. R. Amundson: Linear Operator Methods in Chemical Engineering with
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