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FORTRAN

The document discusses a syllabus for a General Chemistry chapter on Microsoft Fortran. The syllabus covers basic computer components, languages, and Microsoft Fortran concepts like constants, variables, operators, arithmetic expressions, input/output statements, and conditional statements. It also lists 5 applications of solving chemical problems using Fortran, including calculating roots of a quadratic equation. A sample Fortran program is provided to calculate the real roots of a quadratic equation by taking coefficients as input and using formulas to determine the roots.

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Balakrishna Ganta
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41 views2 pages

FORTRAN

The document discusses a syllabus for a General Chemistry chapter on Microsoft Fortran. The syllabus covers basic computer components, languages, and Microsoft Fortran concepts like constants, variables, operators, arithmetic expressions, input/output statements, and conditional statements. It also lists 5 applications of solving chemical problems using Fortran, including calculating roots of a quadratic equation. A sample Fortran program is provided to calculate the real roots of a quadratic equation by taking coefficients as input and using formulas to determine the roots.

Uploaded by

Balakrishna Ganta
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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M.

sc (Organic chemistry)
1st Year
Subject: General Chemistry
Chapter-5
Microsoft Fortran

SYLLABUS:

1) Basic components of Computers,


2) Higher and lower level languages,
3) Microsoft Fortran:
a) constants,
b) variables and operators,
c) arithmetic expressions,
d) assignment and replacement statements,
4) Input and Output statements –
a) Format free and Format directed I/O statements – Iw, Fw.d, Ew.d and Gw.d format
specifications,
b) conditional and unconditional statements – Logical IF,
c) Block IF and Go To statements,
d) Do statement – syntax and rules.
Application of Chemical Problems:
Flowcharts and Programs for
1. Statistical Analysis calculation of arithmetic mean,mean deviation, variance and standard deviation
of replicate measurements.
2. Solution of Quadratic equation – calculation of the roots of a quadratic equation.
3. Calculation of the pH and hydrogen ion concentration of an aqueous solution of a strong acid
taking into account the auto ionization of water.
4. Calculation of the root of a polynomial using Gauss-Newton method – Application to Vander-
Waal’s equation.
5. Calculation of the rate constant of a first order reaction or calculation of molar extinction
coefficient using Beer-Lambert’s Law by Linear leastsquares method.

2. Solution of Quadratic equation – calculation of the roots of a quadratic equation.


Flow chart:
start
input
D squrt(b*b-4*a*c)
X1 (-b+D)/2a
X2 C (-b-D)/2a

Print x1,Cx2

stop

Fortran code:

PROGRAM quadratic roots


IMPLICIT NONE

!declaring variables

REAL::a,b,c,d,root1,root2,val

PRINT *, '============================================'
PRINT *, 'PROGRAM TO CALCULATE ROOTS OF A QUADRATIC EQUATION [REAL ROOTS ONLY] [ BY WWW.BOTTOMSCIENCE.COM ]'
PRINT *, '============================================'

PRINT *,'Please enter the value of cofficients a, b, and c respectively as per the equation - ax^2 + bx + c'

READ(*,*)a,b,c

!calculating the square root part -> square root(b^2-4ac)

val=((b**2)-(4*a*c))

d=SQRT(val)

root1=(-b+d)/(2*a)
root2=(-b-d)/(2*a)

PRINT *,'Calculated real roots are - root 1 = ',root1 ,'root 2 = ', root2

END PROGRAM

OUTPUT

OUTPUT – QUADRATIC EQUATION [REAL ROOTS ONLY]

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