Numerical Methods for Chemical Engineers
CHE F242
Hare Krishna Mohanta
BITS Pilani Department of Chemical Engineering
B.I.T.S-Pilani, Pilani Campus
Pilani Campus
Chapter 7
Roots of Polynomials
BITS Pilani
Pilani Campus
CHE F242 Numerical Methods for Chemical Engineers
General Form of Polynomial
Equations
f n ( x) ao a1 x a2 x an x
2 n
1. For an nth order equation, there are n real or complex
roots.
2. If n is odd, there is at least one real root.
3. Complex roots exist in conjugate pairs (that is, l+mi and
l-mi), where i=sqrt(-1).
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CHE F242 Numerical Methods for Chemical Engineers
Conventional Methods
• The efficacy of bracketing and open methods
depends on whether the problem being solved
involves complex roots. If only real roots exist,
these methods could be used. However,
– Finding good initial guesses complicates both the
open and bracketing methods, also the open
methods could be susceptible to divergence.
• Special methods have been developed to find
the real and complex roots of polynomials –
Müller and Bairstow methods.
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CHE F242 Numerical Methods for Chemical Engineers
Müller Method
obtains a root estimate by projecting a parabola to the x axis
through three function values.
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CHE F242 Numerical Methods for Chemical Engineers
Müller Method
• The method consists of deriving the coefficients
of parabola that goes through the three points:
– 1. Write the equation in a convenient form:
f 2 ( x) a( x x2 ) b( x x2 ) c
2
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CHE F242 Numerical Methods for Chemical Engineers
Müller Method
The parabola should intersect the three points [xo, f(xo)], [x1,
f(x1)], [x2, f(x2)]. The coefficients of the polynomial can be
estimated by substituting three points to give
f ( xo ) a( xo x2 ) 2 b( xo x2 ) c
f ( x1 ) a( x1 x2 ) 2 b( x1 x2 ) c
f ( x2 ) a( x2 x2 ) 2 b( x2 x2 ) c
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CHE F242 Numerical Methods for Chemical Engineers
Three equations can be solved for three unknowns, a, b, c.
Since two of the terms in the 3rd equation are zero, it can
be immediately solved for c=f(x2).
f ( xo ) f ( x2 ) a( xo x2 ) 2 b( xo x2 )
f ( x1 ) f ( x2 ) a( x1 x2 ) 2 b( x1 x2 )
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CHE F242 Numerical Methods for Chemical Engineers
If
h o x1 - x o h1 x 2 - x1
f ( x1 ) f ( xo ) f ( x2 ) f ( x1 )
o 1
x1 xo x2 x1
(ho h1 )b (ho h1 ) 2 a ho o h11
Solved for a
h1b h a h11
1
2
and b
1 o
a b ah1 1 c f ( x2 )
h1 ho
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CHE F242 Numerical Methods for Chemical Engineers
Roots can be found by applying an alternative form of quadratic
2c
formula:
x3 x2
b b 4ac
2
The error can be calculated as
x3 x2
a 100%
x3
±term yields two roots, the sign is chosen to agree with b. This will
result in a largest denominator, and will give root estimate that is
closest to x2.
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CHE F242 Numerical Methods for Chemical Engineers
Once x3 is determined, the process is repeated using the following
guidelines:
1. If only real roots are being located, choose the two original points that are nearest the
new root estimate, x3.
2. If both real and complex roots are estimated, employ a sequential approach just like in
secant method, x1, x2, and x3 to replace xo, x1, and x2.
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CHE F242 Numerical Methods for Chemical Engineers
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CHE F242 Numerical Methods for Chemical Engineers
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