The Chemistry Maths Book, Second Edition

(Grace) #1

592 Chapter 20Numerical methods


which can be interpreted as first-order rate processes with rate constants 1 and 100.


Stiff problems can sometimes be solved by means of a change of variable, but special


numerical methods exist to handle such problems.


20.11 Exercises


Section 20.2


1.Express the following numbers rounded to (a) 3 decimal places, (b) 4 significant figures:


(i)1.21271 (ii)72.0304 (iii)0.129914 (iv)0.0024988


2.Find the absolute error bound for each answer of Exercise 1.


3.Compute the values of the following arithmetic expressions. Assuming that all the numbers


in the expressions are correctly rounded, find the absolute error bounds of your answers:


(i)2.137 1 + 1 3.152, (ii)2.137 1 + 1 3.152 1 − 1 4.672, (iii)12.36 1 + 1 14.13 1 + 1 16.38,


(iv)12.36 1 + 1 14.13 1 − 1 16.38


4.Find the relative error bound for each answer of Exercise 1.


5.Compute the values of the following arithmetic expressions. Assuming that all the numbers


in the expressions are correctly rounded, find the absolute error bounds of your answers:


(i)22.7 1 × 1 2.59, (ii)22.7 2 2.59, (iii)(17.43 1 − 1 12.34) 2 14.38


6.Solvex


2

1 − 160 x 1 + 111 = 10 by (i) equations (20.3a) and (ii)equations (20.3b), using (a)


4-figure arithmetic, (b) 6-figure arithmetic.



  1. (i)Compute on a 10-digit calculator (or similar) forx 1 = 1 1, 10


2

,


10


4

, 10


6

, 10


8

.


(ii)Show that the function can be written as Use this to recompute


the function.



  1. (i)Compute on a 10-digit calculator (or similar) forx 1 = 1 1, 10


− 2

, 10


− 4

, 10


− 6

.


(ii) Use the Taylor series to find an expression for the function that is accurate for small


values of x. (iii)Use this to recompute the function forx 1 = 110


− 2

, 10


− 4

, 10


− 6

.


Section 20.3


Find a solution to 4 significant figures of the following equations by the bisection method,


using the given starting values of x:



  1. x


2

1 − 1 ln 1 x 1 = 1 2; 1.5, 1.6 10.e


−x

1 = 1 tan 1 x; 0.5, 0.6 11.x


3

1 − 13 x


2

1 + 16 x 1 = 1 5; 1.0, 1.5


Find a solution to 8 significant figures of the following equations by the Newton–Raphson


method starting in every case withx


0

1 = 11 (see Exercises 9 to 11):


12.x


2

1 − 1 ln 1 x 1 = 12 13.e


−x

1 = 1 tan 1 x 14.x


3

1 − 13 x


2

1 + 16 x 1 = 15


15.Given one root,x


1

say, of a polynomial of degree n, a second root can be obtained by first


dividing the polynomial by the factor (x 1 − 1 x


1

) to give a polynomial of degreen 1 − 11. Show


that the computed root of the cubic in Exercise 14 is the only real one.


Section 20.4


Six points on the graph of a functiony 1 = 1 f(x)are given by the (x, y) pairs


(0.0, 0.00000) (0.2, 0.19867) (0.4, 0.38942)


(0.6, 0.56464) (0.8, 0.71736) (1.0, 0.84147)


(the function issin 1 x).


ee


x


xx




2


1


fx


x


xx


()=


++


.


1


fx x x() (=+− 1 x)

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