Re: How to calculate entropy of particles?

On Feb 14, 9:22 pm, Rick Giuly <rgiuly.gr...@xxxxxxxxx> wrote:
Hello all,

I'm working on a molecular dynamics simulation based on Lennard-Jones
potential. Each particle has a position, a mass, and a velocity.

I know that temperature is the average kinetic energy of all the
particles, so temperature is no problem to calculate.

But, how would you calculate the entropy of the particles?

S = k ln(number of states)
dS = dQ / T


Any help is appreciated.

-Rick Giuly
If replying by email please use: rgiuly at ucsd dot edu

reference:http://en.wikipedia.org/wiki/Lennard-Jones_potential

.

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