Abstract
The thermodynamic and structural properties of Yukawa hard chains are considered in this work. We specifically examined the influence of the Yukawa potential range parameter λ on the thermodynamic properties, inter- and intrachain correlation functions of the chain fluid. The compressibility factor or pressure of Yukawa chain fluids was calculated via a first-order perturbation theory using hard-sphere chain fluid as a reference. Monte Carlo simulations were performed to calculate the thermodynamic properties and inter- and intrachain correlation functions of the fluid for λ=1.8 and 3.0. Simulation results for the compressibility were compared with calculations from the first-order perturbation theory and the Statistical Associating Fluid Theory-Variable Range (SAFT-VR) model. We found that both theories represent the simulated data very well. In particular, the SAFT-VR equation provides an excellent estimate of the properties of Yukawa hard chains over wide ranges of temperature and density. Simulated data for interchain and intrachain correlation functions reveal that the local structure of the Yukawa hard chains is strongly effected by the range parameter of the potential.
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.
