Exact calculations of fluid-phase equilibria by Monte Carlo simulation in a new statistical ensemble

Monte Carlo simulation of fluid phase eq

Monte Carlo simulation of fluid phase equilibria in pore systems: square-well fluid distributed over a bulk and a slit-pore

✍ William R. Smith; Horst L. Vörtler 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 380 KB

An extension of the Gibbs ensemble simulation technique is presented, which permits the simultaneous treatment of multiple fluid-phase equilibria involving a bulk and a confined fluid. The method incorporates separate phase simulation boxes for the two regions and possible coexisting phases within e