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Mathematical Tools - I: CHEM. 325

The document discusses various mathematical tools used in chemistry, including vectors and their properties. Vectors have direction, sense, and magnitude. Key properties of vectors discussed are: addition, subtraction, dot product, cross product, differentiation, and spherical polar coordinates. Examples are given of how vectors are used to describe physical quantities like position, velocity, momentum, and angular momentum.

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Joe Achkar
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44 views5 pages

Mathematical Tools - I: CHEM. 325

The document discusses various mathematical tools used in chemistry, including vectors and their properties. Vectors have direction, sense, and magnitude. Key properties of vectors discussed are: addition, subtraction, dot product, cross product, differentiation, and spherical polar coordinates. Examples are given of how vectors are used to describe physical quantities like position, velocity, momentum, and angular momentum.

Uploaded by

Joe Achkar
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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9/8/2020

MATHEMATICAL TOOLS - I
CHEM. 325

VECTORS
• Vector: Physical quantity with direction, sense and
magnitude.
• Examples:

Position r
Velocity v
 
Linear momentum p  mv
  
Angular momentum
L r  p

Force
F  ma
• Coordinates: Any vector can be described by its
three coordinates in 3D.   

• Position vector: r  x i  y j  z k

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PROPERTIES OF VECTORS
x 
A. MATRIX NOTATION:   
r   y
 z 

B. MAGNITUDE: r  x 2  y 2  z 2
      
C. SUM: Let  A  Ax i  Ay j  Az k and Let C  A  B
   
 B  Bx i  B y j  Bz k
Then:    
C  ( Ax  Bx ) i  ( Ay  B y ) j  ( Az  Bz ) k
  
D. SUBTRACTION: Let D  A  B
   
Then: D  ( Ax  Bx ) i  ( Ay  By ) j  ( Az  Bz ) k

b
B 
A + C  c
a
 
c 2  a 2  b 2  2 a b cos A, B

b
B
A − a 
 
d  a  b  2 a b cos A, B
2 2 2
d D

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E. DOT (or SCALAR) PRODUCT:  


A  B  A B cos
 
A  B  Ax Bx  Ay By  Az Bz a scalar
Note: If two vectors are perpendicular, then A B = 0
F. CROSS PRODUCT:
  
A  B  A B sin  n

A xB B 
   A
n A B  
 B
A
  Note that:
Magnitude: A  B  A B sin     
A  B  B  A

Coordinates of A xB
  
i j k  
  i ( A y Bz  Az By )  j ( Ax Bz  Az Bx )
A  B  Ax Ay Az  
 k ( Ax B y  Bx Ay )
Bx By Bz
 A B  Az By 
   y z 
Thus, in matrix representation: A  B   A z B x  Ax Bz 
 Ax By  Ay Bx 
 
Typical example in classical mechanics:
     
L  r  p  ( ypz  zp y )i  ( zp x  xpz ) j  ( xp y  ypx )k

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Exercise: Mathematical expressions in Chemical


Physics
• Write Fick’s first law of diffusion (in1D and in 3D).
• Write Fick’s second law of diffusion (in1D and 3D).
• Write the Shcrödinger wave equation (in 1D and 3D).
• Write
 the vector acceleration in terms of the  vector velocity
(v ), then in terms of the vector position ( r ).
• Write the Laplacian operator in terms of the gradient
vector.
• Write thelinear momentum vector in terms of thevector
velocity (v ), then in terms of the vector position (r ).
• Write the angular momentum vector in terms of the vector
position and the vector linear momentum.
• Write an expressionof the magnetic energy in termsof the
magnetic moment ( ) and the magnetic induction (B ).

G. Differentiation of vectors:

  
r  x i  y j  z k Then:

 d r dx  dy  dz 
v  i j k
dt dt dt dt
Note: the gradient of a scalar function is a vector
 f / x 
 f  f  f   
f  i  j  k   f / y 
x y z  f / z 
 
2 f 2 f 2 f
Laplacian Operator  f  2  2  2
2

x y z

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SPHERICAL POLAR COORDINATES


z   x  r sin  cos 

 y  r sin  sin 
r  z  r cos 

y

x
(x, y, z) (r, , )
Cartesian Spherical polar

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