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Data Sheet and Math Primer
Data Sheet and Math Primer
Physical Constants
Gas constant R = 8.315 J K1 mol1
= 8.315 kPa dm3 K1 mol1
= 8.315 Pa m3 K1 mol1
= 8.206 x 102 L atm K1 mol1
Boltzmann constant k = 1.381 x 1023 J K1
Planck constant h = 6.626 x 1034 J s
Faraday constant F = 9.649 x 104 C mol1
Avogadro constant L or NA = 6.022 x 1023 mol1
Speed of light in vacuum c = 2.998 x 108 m s1
Mole volume of an ideal gas Vm = 22.41 L mol1 (at 1 atm and 273.15 K)
= 22.71 L mol1 (at 1 bar and 273.15 K)
Elementary charge e = 1.602 x 1019 C
Rest mass of electron me = 9.109 x 1031 kg
Rest mass of proton mp = 1.673 x 1027 kg
Rest mass of neutron mn = 1.675 x 1027 kg
Permitivity of vacuum o = 8.854 x 1012 C2 J1 m1 (or F m1)
Gravitational acceleration g = 9.807 m s2
Rydberg constant RH = 10967700 m-1
Rydberg constant R∞ = 10973731 m-1
Bohr radius a0 = 0.529 Å
Conversion Factors
1W = 1 J s1
1J = 0.2390 cal = 1 N m = 1 V C
= 1 Pa m3 = 1 kg m2 s2
1 cal = 4.184 J
1 eV = 1.602 x 1019 J
1 L atm = 101.3 J
1 atm = 1.013 x 105 N m2 = 1.013 x 105 Pa = 760 mmHg
1 bar = 1 x 105 Pa
1L = 103 m3 = 1 dm3
1 Angstrom = 1 x 1010 m = 0.1 nm = 100 pm
1 micron () = 106 m = 1 m
1 Poise = 0.1 Pa s = 0.1 N sm2
1 ppm = 1 g g1 = 1 mg kg1
= 1 mg L1 (dilute aqueous solutions only)
1 dyn cm1 = 103 J m2
Chemistry Data Sheet and Math Primer: Quantum Effects
Chemistry Data Sheet and Math Primer: Quantum Effects
Maths Primer
Calculus
Some differentials:
dy du dv
Differentiation of a sum: If y = u + v, then
dx dx dx
dy dv du
Differentiation of a product: If y = uv, then u v
dx dx dx
du dv
u v u
dy
Differentiation of a quotient: if y , then dx 2 dx
v dx v
d df ( g( x )) dg( x )
Function of a function: ( f ( g( x ))
dx dg( x ) dx
du n du
Differentiation of a power: nu n1
dx dx
d
Differentiation of sin & cos: (sin ax) a cos ax
dx
d
(cos ax) a sin ax
dx
d 2y d dy
Second order derivative:
dx 2 dx dx
Exponential functions:
d x
e ex
dx
d x
e e x
dx
d n du
u nu n1
dx dx
d ax
e ae ax
dx
d g( x) dg(x) g( x)
e e
dx dx
Chemistry Data Sheet and Math Primer: Quantum Effects
e dx e
x x
ax
a dx a 0,a 1
x
ln a
ln xdx x ln x x
1 1
sin ax dx x sin 2ax
2
2 4a
ax
xe e ax
xe dx a a 2
ax
n ax n!
x e dx
a n1
0
Series expansion
x2 x3
e 1 x
x
2! 3!
f' ' ( a)
f ( x ) f ( a ) f ' ( a )( x a ) ( x a ) 2 ...
2!
Complex numbers
z x iy , i 1
z* x iy
2
z (x iy )(x iy ) x 2 y 2
e i cos i sin
1
cos (e i e i )
2
1 i
sin i(e e i )
2
cos sin 2 1
2
sin n 0, n 1,2,3...
cos 2n 1, n 1,2,3...