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legendre transform Wednesday, June 24, 2015 9:12 AM Pasted from Q is a very diff

ID: 1288887 • Letter: L

Question

legendre transform

Wednesday, June 24, 2015 9:12 AM Pasted from Q is a very difficult variable to work with, because it is not a state variable, so the total derivative is a very tricky concept. Hence, physical chemist prefer to use Enthalpy, H=U+PV which is a state variable, when referring to heat. By the means of a Legendre transform, how the change in enthalpy of a system is related to the heat absorbed or expelled. i. State your assumptions. ii. Explain why your assumptions in (i) is valid for most chemical reactions (Hint: most chemical reactions take place at room temperature and pressure and are rather quasi-static) Also, show using a Legendre Transform that delta F, where F is the Helmholtz Free energy, F = U - TS is a measure of all forms of work done on the system. State your assumptions.

Explanation / Answer

The first law of thermodynamics is a statement of the conservation of energy. Specifically, the first law addresses the interconvertability of work and heat as forms of energy.

In words the law is

Internal energy = heat + work

or in integral form as

DU = q + w

Calculating the work is possible starting with the definition

work = force x distance

dw = -F dr

This can be recast by dividing the work by an area and by multiplying the displacement by an area

dw = -(F/A) d(rA) or dw = -P dV

The heat can be calculated using the constant volume heat capacity.

heat = heat capacity x temperature change

dq = Cv dT

The second law of thermodynamics tells us that the entropy of system is

dS = dq/T for a reversible process.

For an irreversible process the heat is exhanged between the system and surroundings, dqirr will be less than TdS such that

dS > dqirr/T

For a reversible process we can write a combined expression for the first and second laws of thermodynamics

dU <= TdS - PdV

Free energy functions

At constant volume, dV = 0, and we have

dU <= TdS

or

dU - TdS <= 0

Since T and V are held constant, we can write this expression as

d(U - TS) <= 0

Thus, we can define a new state function, F = U - TS.

dF < = 0

The quantity F is called the Helmholtz free energy. In a system held at constant T and V, the Helmholtz energy will decrease until all possible spontaneous processes have occurred at which time the system will be in equilibrium.

The internal energy is a natural function of entropy and volume, U(S,V). The Helmholtz free energy is a natural function of temperature and volume, F(T,V). We can also consider the enthalpy, H as a natural function of entropy and pressure

and the Gibbs free energy as a natural function of temperature and pressure, G(T,P). The transformation of variables between these two sets of functions is known as a LeGendre transform.

H = U + PV

In differential form we have

dH = dU + PdV + VdP = TdS + VdP