𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An extension of the NpT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids

✍ Scribed by Dezső Boda; János Liszi; István Szalai

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
369 KB
Volume
235
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

An extended version of the NpT plus test particle method of Lotfi, Vrabec and Fischer is suggested for the determination of the vapour-liquid equilibria of pure fluids. It is based on the Taylor expansion of the function fl/~ with respect to both and p. It enables the derivation of equilibrium data in a certain temperature range from a pair of raw simulations. The method was tested on the Lennard-Jones fluid using the Monte Carlo simulation method.

📜 SIMILAR VOLUMES

The NVT plus test particle method for th
The NVT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids
✍ István Szalai; János Liszi; Dezs″o Boda 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 545 KB

A new, NVT plus test particle, method is suggested for the determination of the vapour-liquid equilibria of pure fluids. It is an adaptation of our extended NpT plus test particle method to the canonical ensemble. It is based on Taylor expansions of the & and p functions with respect to both p and j

A new simulation method for the determin
A new simulation method for the determination of the vapour-liquid equilibria in the grand canonical ensemble
✍ Dezsó Boda; János Liszi; István Szalai 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 582 KB

A new simulation method is introduced for the determination of the vapour-liquid phase separation of pure fluids in the grand canonical ensemble. It is based on the third-order Taylor series of the pressure with respect to the reciprocal temperature term ([3 = 1/kT) and the configurational chemical

An accurate method for testing the therm
An accurate method for testing the thermodynamic consistency of isothermal binary vapour—liquid equilibrium data
✍ R. Techo 📂 Article 📅 1963 🏛 Elsevier Science 🌐 English ⚖ 583 KB

This paper presents a method for using electronic digital computers to determine the thermodynamic consistency of isothermal binary vapour-liquid equilibrium data. Two sets of orthogonal polynomials, P = P(x) and y = y(x), are obtained by fitting the experimental total pressure and vapour-compositio