An equation of state for homonuclear chain molecules is formulated on the basis of thermodynamic perturbation theory of Wertheim. It yields a very accurate prediction of the compressibility factor of different chain molecules including square-well monomers and square-well dimers as well as flexible chains with up to 15 bonds in a molecule. A large number of molecular simulation results are used to test our equation. Good agreement between the calculated and the computer simulation data can be obtained from our equation.
展开▼