A semi-empirical equation of state for the freely jointed square-well chain fluid is developed. This equation of state is
based on Wertheim’s thermodynamic perturbation theory (TPT) and the statistical associating fluid theory (SAFT). The compressibility
factor and radial distribution function of square-well monomer are obtained from Monte Carlo simulations. These results are
correlated using density expansion. In developing the equation of state the exact analytical expressions are adopted for the
second and third virial coefficients for the compressibility factor and the first two terms of the radial distribution function,
while the higher order coefficients are determined from regression using the simulation data. In the limit of infinite temperature,
the present equation of state and the expression for the radial distribution function are represented by the Carnahan-Starling
equation of state. This semi-empirical equation of state gives at least comparable accuracy with other empirical equation
of state for the square-well monomer fluid. With the new SAFT equation of state from the accurate expressions for the monomer
reference and covalent terms, we compare the prediction of the equation of state to the simulation results for the compressibility
factor and radial distribution function of the square-well monomer and chain fluids. The predicted compressibility factors
for square well chains are found to be in a good agreement with simulation data. The high accuracy of the present equation
of state is ascribed to the fact that rigorous simulation results for the reference fluid are used, especially at low temperatures
and low densities.
This paper was presented at the 8th APCChE (Asia Pacific Confederation of Chemical Engineering) Congress held at Seoul between
August 16 and 19, 1999. 相似文献
Summary: Wear behavior correlations with morphology have been established from polytetrafluoroethylene (PTFE) drawn at 200, 327, and 375 °C with draw ratio about 4. The friction coefficient and wear rate for PTFE drawn at 327 °C are lower and the wear rate is lower than that of undrawn PTFE by about 30%. The structures of samples were characterized by scanning electron microscope (SEM), DSC, and wide angle X‐ray diffraction (WAXD). Results indicate that the debris morphologies of samples are different. The differences in the tribological behavior of undrawn and drawn samples were attributed to the improvement of the degree of the crystalline, fibrillation, and orderliness by drawing, especially, for PTFE drawn at 327 °C. The orderliness of molecular arrangement along the drawn direction is also higher for PTFE drawn at 327 °C than those of PTFE drawn at 200 and 375 °C, respectively. Therefore, the intensity of covalent bond along drawn direction is higher. The shear resistance and the deformability of the material are greatly improved and the size of the wear breakage unit decreases, which results in a good tribological property for PTFE drawn at 327 °C.
SEM morphology of fractured surface perpendicular to the draw direction for PTFE drawn at 327 °C. 相似文献