| Abstract: | Lattice constants of the monoclinic form of polyethylene under pressures up to 1.8 GPa at 298 K are investigated by x-ray diffraction. The thermal expansion from 100 K to 300 K at atmospheric pressure is also studied. The equation of state is calculated by Pastine's method, taking into account the zero-point vibration, and is compared with experimental results. The calculated results depend largely on the interatomic potential used and the limit of the interatomic distance for summation of the potentials. A change in the angle γ between the a and b axes results in an anisotropic change in the unit cell dimension with both pressure and temperature; the a and b axes change at nearly the same rate. The monoclinic form may have a higher density than the orthorhombic form at pressures above 1.0 GPa. |
