文摘
The phase diagram of cyclopentane has been studied by powder neutron diffraction, providing diffractionpatterns for phases I, II, and III, over a range of temperatures and pressures. The putative phase IV was notobserved. The structure of the ordered phase III has been solved by single-crystal diffraction. Computationalmodeling reveals that there are many equienergetic ordered structures for cyclopentane within a small energyrange. Molecular dynamics simulations reproduce the structures and diffraction patterns for phases I and IIIand also show an intermediate disordered phase, which is used to interpret phase II.