1 Kinetics

1.3 The Boltzmann factor

(September 1, 2023)

A system has total energy U. If a subsystem within the system has energy ϵ, the rest of the system has energy U-ϵ. The subsystem should be small and independent of the rest of the system (except in regard to energy exchange), e.g. a molecule in an ideal gas. Probability the subsystem will have energy ϵ is proportional to e-ϵ/kB⁢T

P⁢(ϵ)∝e-ϵ/kB⁢T (1.40)

This is the Boltzmann factor. We can simplify β=kB⁢T such as to not have to write so much. If you have a set of microscopically small states i=1⁢…⁢N, the sum of all of these probabilities is 1, as shown below. Since P⁢(ϵ)=C⁢e-β⁢ϵ we have

∑iC⁢e-β⁢ϵi=1, (1.41)

which determines the constant C which we call 1/Z

C=1Z with Z≡∑ie-β⁢ϵi (1.42)

Z is known as the partition function and is important in what follows. Then the probability of finding the subsystem in state r with energy ϵr is the following

P⁢(ϵ)=e-ϵ/kB⁢TZ (1.43)

The partition function is a function of the temperature, Z⁢(β). The derivative of Z with respect to (minus) β determine the mean energy via the formula

⟨ϵ⟩=1Z⁢(β)⁢(-∂⁡Z∂⁡β) (1.44)

Higher derivatives with respect to minus β determine higher moments of the energy, e.g. to find the second moment ⟨ϵ2⟩ we have

⟨ϵ2⟩=1Z⁢(β)⁢(-∂∂⁡β)2⁢Z⁢(β)=1Z⁢(β)⁢∂2⁡Z∂⁡β2 (1.45)