𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The NVT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids

✍ Scribed by István Szalai; János Liszi; Dezs″o Boda

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
545 KB
Volume
246
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

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 j3. The algori hm enables the derivation of the equilibrium data in a certain temperature range from a pair of NVT raw simulations. The method was tested at a few points of state on a Lennard-Jones fluid.

📜 SIMILAR VOLUMES

An extension of the NpT plus test partic
An extension of the NpT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids
✍ Dezső Boda; János Liszi; István Szalai 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 369 KB

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

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

A convenient method for the evaluation o
A convenient method for the evaluation of vapour-liquid equilibria of binary mixtures
✍ W. Jost; H. Röck 📂 Article 📅 1954 🏛 Elsevier Science 🌐 English ⚖ 655 KB

In the evaluation of thermodynamic measurements of mixtures a development of the excess Gibbs free energy, Ai@, in orthogonal functions has proved advantageous. Since measurements do not give a smooth curve but a set of discontinuous values, a method appropriate for the evaluation of equidistant dis

(Vapour + liquid) equilibria of (water +
(Vapour + liquid) equilibria of (water + dimethylformamide): application of the headspace-gas chromatography for the determination of thermodynamic interactions
✍ C. Barth; R. Horst; B.A. Wolf 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 180 KB

## Ä Isothermal measurements of the partial vapour pressures have been carried out on water q Ž .4 dimethylformamide DMF at temperatures between T s 305.15 K and T s 323.15 K using an apparatus composed of a headspace sampler and a normal gas chromatograph. These data Ž were simultaneously evaluat

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

A particle beam-liquid chromatography-ma
A particle beam-liquid chromatography-mass spectrometry method for the determination of lipoxygenase metabolites of arachidonic acid
✍ Robert Galimberti; Paolo Lecchi; Leonardo De Angelis; Donatella Caruso; Aurelio 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 539 KB

An application of the particle beam-liquid chromatography-mass spectrometry technique to the quantification of hydroxyeicosatetraenoic acids (15-, 12-, and 5-HETE) in biological samples is presented. The acids are extracted with Ethyl acetate and then transformed into pentafluorobenzyl esters, thus