Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures

Four different mixing rules (MRs) in three equations of state (EOSs) have been used to account for the intermolecular forces of attraction between dissimilar molecules of different substances that form simple mixtures. The combined effects of the co-volumes of all constituent species of the mixtures...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Babalola F. U., Akanji I. O., Oyegoke T.
Formato:	article
Lenguaje:	EN RU UK
Publicado:	Sumy State University 2021
Materias:	equation of state mixing rule density predictions chemical mixtures thermodynamics models Engineering (General). Civil engineering (General) TA1-2040
Acceso en línea:	https://doaj.org/article/422da5c19c054c76adf1830b80d5ebe4
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:422da5c19c054c76adf1830b80d5ebe4
record_format	dspace
spelling	oai:doaj.org-article:422da5c19c054c76adf1830b80d5ebe42021-11-06T11:58:57ZComparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures10.21272/jes.2021.8(1).f42312-24982414-9381https://doaj.org/article/422da5c19c054c76adf1830b80d5ebe42021-06-01T00:00:00Zhttp://jes.sumdu.edu.ua/wp-content/uploads/2021/07/jes_8_1_2021_F25-F31.pdfhttps://doaj.org/toc/2312-2498https://doaj.org/toc/2414-9381Four different mixing rules (MRs) in three equations of state (EOSs) have been used to account for the intermolecular forces of attraction between dissimilar molecules of different substances that form simple mixtures. The combined effects of the co-volumes of all constituent species of the mixtures were also considered, and the densities of these simple mixtures were predicted. Thereafter, the density results obtained were compared with accurately simulated experimental density values, and the effectiveness of these MRs was determined and compared. The four MRs compared are geometric mean average (GMA), whole square root average (SRA), Expanded geometric average (EGA), and simple average (SA) of attractive force parameter. They were all used in Van der Waals, Redlich Kwong, and Peng Robinson EOSs for two simple mixtures: a binary system (Ammonia – Water system) and a ternary mixture (methyl acetate – water – toluene system). It was found that GMA and EGA gave reasonably accurate estimates of the mixture attractive force parameter (am) and hence good density prediction for both Ammonia – Water and Methyl acetate – Water – Toluene systems. SRA gave unrealistic values of mixture densities for both systems and was discarded. SA gave a somewhat good result with Peng Robinson EOS for the ammonia-water system, but not that good in Redlich Kwong EOS and very poor in Van der Waals EOS. SA does not give reasonable estimates of the mixture densities with the three EOSs considered for the methyl acetate – water – toluene system.Babalola F. U.Akanji I. O.Oyegoke T.Sumy State Universityarticleequation of statemixing ruledensity predictionschemical mixturesthermodynamicsmodelsEngineering (General). Civil engineering (General)TA1-2040ENRUUKЖурнал інженерних наук, Vol 8, Iss 1, Pp F25-F31 (2021)
institution	DOAJ
collection	DOAJ
language	EN RU UK
topic	equation of state mixing rule density predictions chemical mixtures thermodynamics models Engineering (General). Civil engineering (General) TA1-2040
spellingShingle	equation of state mixing rule density predictions chemical mixtures thermodynamics models Engineering (General). Civil engineering (General) TA1-2040 Babalola F. U. Akanji I. O. Oyegoke T. Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures
description	Four different mixing rules (MRs) in three equations of state (EOSs) have been used to account for the intermolecular forces of attraction between dissimilar molecules of different substances that form simple mixtures. The combined effects of the co-volumes of all constituent species of the mixtures were also considered, and the densities of these simple mixtures were predicted. Thereafter, the density results obtained were compared with accurately simulated experimental density values, and the effectiveness of these MRs was determined and compared. The four MRs compared are geometric mean average (GMA), whole square root average (SRA), Expanded geometric average (EGA), and simple average (SA) of attractive force parameter. They were all used in Van der Waals, Redlich Kwong, and Peng Robinson EOSs for two simple mixtures: a binary system (Ammonia – Water system) and a ternary mixture (methyl acetate – water – toluene system). It was found that GMA and EGA gave reasonably accurate estimates of the mixture attractive force parameter (am) and hence good density prediction for both Ammonia – Water and Methyl acetate – Water – Toluene systems. SRA gave unrealistic values of mixture densities for both systems and was discarded. SA gave a somewhat good result with Peng Robinson EOS for the ammonia-water system, but not that good in Redlich Kwong EOS and very poor in Van der Waals EOS. SA does not give reasonable estimates of the mixture densities with the three EOSs considered for the methyl acetate – water – toluene system.
format	article
author	Babalola F. U. Akanji I. O. Oyegoke T.
author_facet	Babalola F. U. Akanji I. O. Oyegoke T.
author_sort	Babalola F. U.
title	Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures
title_short	Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures
title_full	Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures
title_fullStr	Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures
title_full_unstemmed	Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures
title_sort	comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures
publisher	Sumy State University
publishDate	2021
url	https://doaj.org/article/422da5c19c054c76adf1830b80d5ebe4
work_keys_str_mv	AT babalolafu comparativeanalysisoftheperformanceofmixingrulesfordensitypredictionofsimplechemicalmixtures AT akanjiio comparativeanalysisoftheperformanceofmixingrulesfordensitypredictionofsimplechemicalmixtures AT oyegoket comparativeanalysisoftheperformanceofmixingrulesfordensitypredictionofsimplechemicalmixtures
_version_	1718443662537392128

Comparative analysis of the performance of mixing rules for density prediction of simple chemical mixtures

Ejemplares similares