Abstract
Liquid hydrogen chloride is modeled by a system of heteronuclear two-center Lennard-Jones particles with embedded point dipoles and quadrupoles. The effect of molecular polarizability is incorporated via an effective dipole approximation. The study is performed by Monte Carlo reaction field simulation and by hypernetted chain and reference hypernetted chain integral equations. Our simulation results yield dielectric properties in excellent agreement with experimental data for liquid HCl. As for the integral equation approach, we have experimented with an empirical choice of the reference system in the spirit of a recently proposed treatment which has proved extremely successful for pure and quadrupolar two-center Lennard-Jones fluids. The hypernetted chain equation performs slightly better when accounting for the multipolar contributions to the configurational energy, but as a whole the reference hypernetted chain equation, as introduced, here proves to be a more appropriate choice.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
