Abstract
The Monte Carlo simulation method introduced by Smith and Triska [J. Chem. Phys.100 (1994) 3019] is extended to the case of a reacting fluid in contact with a hard wall. The fluid structure for both spherical and nonspherical reaction products is discussed for simple models of reacting hard spheres near a hard wall and near a wall interacting via Lennard-Jones (9,3) potential. In the latter case the investigated model assumes that the probability of a chemical reaction changes with a distance from the surface. It is shown that the applied technique is suitable for the study of reacting nonuniform fluids.
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.
