Documents disponibles écrits par cet auteur

An empirical modification of classical mixing rule for the cohesive parameter / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 49 N° 10 (Mai 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 10 (Mai 2010) . - pp. 4989–4994 Titre : An empirical modification of classical mixing rule for the cohesive parameter : the triple interactions in binary systems considered Type de document : texte imprimé Auteurs : Ilya Polishuk, Auteur Année de publication : 2010 Article en page(s) : pp. 4989–4994 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Binary  Systems Résumé : The proposed mixing rule can be formally interpreted as an approach considering the triple cohesive interactions of a part of the molecules in a mixture as follows: a = k∑i=12∑j=12xixjaij(1 − kij(T)) + (1 − κ)∑i=12∑j=12∑k=12xixjxkaijk, where kij(T) and κ are the system-dependent adjustable parameters. Regardless of its possible theoretical justification, the proposed mixing rule is equivalent to the classical mixing rule with the composition-dependent adjustable parameter kij(T), and this dependence follows the regularities typically required for an accurate modeling of experimental data. This study demonstrates that the proposed mixing rule allows an accurate description of the entire thermodynamic phase space involving liquid−liquid−vapor equilibria, vapor−liquid equilibria, and the high pressure liquid−liquid equilibria. However in some complex cases it still may not cancel a need of evaluating the binary parameter l12. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100138h [article] An empirical modification of classical mixing rule for the cohesive parameter : the triple interactions in binary systems considered [texte imprimé] / Ilya Polishuk, Auteur . - 2010 . - pp. 4989–4994. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 10 (Mai 2010) . - pp. 4989–4994 Mots-clés : Binary  Systems Résumé : The proposed mixing rule can be formally interpreted as an approach considering the triple cohesive interactions of a part of the molecules in a mixture as follows: a = k∑i=12∑j=12xixjaij(1 − kij(T)) + (1 − κ)∑i=12∑j=12∑k=12xixjxkaijk, where kij(T) and κ are the system-dependent adjustable parameters. Regardless of its possible theoretical justification, the proposed mixing rule is equivalent to the classical mixing rule with the composition-dependent adjustable parameter kij(T), and this dependence follows the regularities typically required for an accurate modeling of experimental data. This study demonstrates that the proposed mixing rule allows an accurate description of the entire thermodynamic phase space involving liquid−liquid−vapor equilibria, vapor−liquid equilibria, and the high pressure liquid−liquid equilibria. However in some complex cases it still may not cancel a need of evaluating the binary parameter l12. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100138h

Generalized cubic equation of state adjusted to the virial coefficients of real gases and its prediction of auxiliary thermodynamic properties / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 48 N° 23 (Décembre 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 23 (Décembre 2009) . - pp. 10708–10717 Titre : Generalized cubic equation of state adjusted to the virial coefficients of real gases and its prediction of auxiliary thermodynamic properties Type de document : texte imprimé Auteurs : Ilya Polishuk, Auteur Année de publication : 2010 Article en page(s) : pp. 10708–10717 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Generalized--Cubic  Equation--Adjusted--Virial  Coefficients--Real  Gases--Prediction--Auxiliary--Thermodynamic--Properties Résumé : This study demonstrates that the overall reliability of a simplest cubic equation of state (EOS) might be improved by developing its accuracy in estimating the virial coefficients. In particular, it has been demonstrated that the progress can be achieved in predicting the sound velocities and, probably, the Joule−Thomson inversion curves. At the same time, the limitations of the simplest model are evident. In particular, it fails in predicting of the virial coefficients in the low temperature range. As a result, its predictions of the liquid phase properties are still imperfect. Further directions of development of the proposed EOS are discussed. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900905p [article] Generalized cubic equation of state adjusted to the virial coefficients of real gases and its prediction of auxiliary thermodynamic properties [texte imprimé] / Ilya Polishuk, Auteur . - 2010 . - pp. 10708–10717. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 23 (Décembre 2009) . - pp. 10708–10717 Mots-clés : Generalized--Cubic  Equation--Adjusted--Virial  Coefficients--Real  Gases--Prediction--Auxiliary--Thermodynamic--Properties Résumé : This study demonstrates that the overall reliability of a simplest cubic equation of state (EOS) might be improved by developing its accuracy in estimating the virial coefficients. In particular, it has been demonstrated that the progress can be achieved in predicting the sound velocities and, probably, the Joule−Thomson inversion curves. At the same time, the limitations of the simplest model are evident. In particular, it fails in predicting of the virial coefficients in the low temperature range. As a result, its predictions of the liquid phase properties are still imperfect. Further directions of development of the proposed EOS are discussed. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900905p

Hybridizing SAFT and cubic EOS / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 50 N° 7 (Avril 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4183–4198 Titre : Hybridizing SAFT and cubic EOS : what can be achieved? Type de document : texte imprimé Auteurs : Ilya Polishuk, Auteur Année de publication : 2011 Article en page(s) : pp. 4183–4198 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Hybridizing Résumé : This study deals with creating a concept of the hybrid model gathering the advantages of both cubic EOS and SAFT approaches. The proposed idea is a revision of the Chapman’s et al. SAFT by addressing the problem of its numerical pitfalls and the issue of the space available for dispersive interactions with further attaching the SAFT part by the cubic EOS’s cohesive term. It is demonstrated that the resulting model on one hand preserves the characteristic for SAFT accuracy in estimating the liquid compressibility, and on the other one − the characteristic for cubic equations capability of simultaneous modeling of critical and subcritical data. Moreover, on the basis of the comprehensive set of thermodynamic properties of 8 challenging for modeling compounds (including n-hexatriacontane, water, and methanol) it has been demonstrated that the proposed EOS has a superiority comparing even to one of the most successful versions of SAFT such as the SAFT-VR-Mie. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie102420n [article] Hybridizing SAFT and cubic EOS : what can be achieved? [texte imprimé] / Ilya Polishuk, Auteur . - 2011 . - pp. 4183–4198. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4183–4198 Mots-clés : Hybridizing Résumé : This study deals with creating a concept of the hybrid model gathering the advantages of both cubic EOS and SAFT approaches. The proposed idea is a revision of the Chapman’s et al. SAFT by addressing the problem of its numerical pitfalls and the issue of the space available for dispersive interactions with further attaching the SAFT part by the cubic EOS’s cohesive term. It is demonstrated that the resulting model on one hand preserves the characteristic for SAFT accuracy in estimating the liquid compressibility, and on the other one − the characteristic for cubic equations capability of simultaneous modeling of critical and subcritical data. Moreover, on the basis of the comprehensive set of thermodynamic properties of 8 challenging for modeling compounds (including n-hexatriacontane, water, and methanol) it has been demonstrated that the proposed EOS has a superiority comparing even to one of the most successful versions of SAFT such as the SAFT-VR-Mie. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie102420n

Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. II. 7 Haloethanes and their mixtures / Ilya Polishuk in International journal of refrigeration, Vol. 36 N° 3 (Mai 2013) 

Public ISBD [article]  in International journal of refrigeration > Vol. 36 N° 3 (Mai 2013) . - pp. 980–991 Titre : Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. II. 7 Haloethanes and their mixtures Titre original : Mise en œuvre d'équations PC-SAFT et SAFT + Cubic pour la modélisation des propriétés thermodynamiques des haloalcanes. II. 7 haloalcanes et leurs mélanges Type de document : texte imprimé Auteurs : Ilya Polishuk, Auteur ; Erez Assor, Auteur ; Naor Cohen, Auteur Année de publication : 2013 Article en page(s) : pp. 980–991 Note générale : Refrigeration Langues : Anglais (eng) Mots-clés : Fluid;  Theory;  Statistics;  Refrigerants;  Density;  Sound  velocity;  Heat  capacity;  Phase  equilibria Résumé : This study compares PC-SAFT and SAFT + Cubic in predicting various thermodynamic properties of 7 haloethanes. The correct estimation of the pure compound critical points contributes to a superior over-all robustness and reliability of SAFT + Cubic. However SAFT + Cubic is less accurate in modeling vapor pressures and isobaric heat capacities away from the critical points. Nevertheless, while being imprecise in predicting CP and CV separately, SAFT + Cubic establishes a more successful mutual error cancellation of these properties, both for ratio and for arithmetic average. Hence, the inaccurate estimations of heat capacities have relatively small impact on predictions of sound velocities. Considering the fact that the heat capacities in engineering equipment are somewhere between constant-volume and constant-pressure conditions, SAFT + Cubic might in fact yield reasonable estimations of the actual data. However its strongest points in comparison to PC-SAFT are the predictions of sound velocities and phase equilibria. En ligne : http://www.sciencedirect.com/science/article/pii/S0140700712002940 [article] Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. II. 7 Haloethanes and their mixtures = Mise en œuvre d'équations PC-SAFT et SAFT + Cubic pour la modélisation des propriétés thermodynamiques des haloalcanes. II. 7 haloalcanes et leurs mélanges [texte imprimé] / Ilya Polishuk, Auteur ; Erez Assor, Auteur ; Naor Cohen, Auteur . - 2013 . - pp. 980–991. Refrigeration Langues : Anglais (eng) in International journal of refrigeration > Vol. 36 N° 3 (Mai 2013) . - pp. 980–991 Mots-clés : Fluid;  Theory;  Statistics;  Refrigerants;  Density;  Sound  velocity;  Heat  capacity;  Phase  equilibria Résumé : This study compares PC-SAFT and SAFT + Cubic in predicting various thermodynamic properties of 7 haloethanes. The correct estimation of the pure compound critical points contributes to a superior over-all robustness and reliability of SAFT + Cubic. However SAFT + Cubic is less accurate in modeling vapor pressures and isobaric heat capacities away from the critical points. Nevertheless, while being imprecise in predicting CP and CV separately, SAFT + Cubic establishes a more successful mutual error cancellation of these properties, both for ratio and for arithmetic average. Hence, the inaccurate estimations of heat capacities have relatively small impact on predictions of sound velocities. Considering the fact that the heat capacities in engineering equipment are somewhere between constant-volume and constant-pressure conditions, SAFT + Cubic might in fact yield reasonable estimations of the actual data. However its strongest points in comparison to PC-SAFT are the predictions of sound velocities and phase equilibria. En ligne : http://www.sciencedirect.com/science/article/pii/S0140700712002940

Implementation of SAFT + Cubic, PC - SAFT, and soave – benedict – webb – rubin equations of state for comprehensive description of thermodynamic properties in binary and ternary mixtures of CH4, CO2, and n - C16H34 / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 50 N° 24 (Décembre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp. 14175-1418 Titre : Implementation of SAFT + Cubic, PC - SAFT, and soave – benedict – webb – rubin equations of state for comprehensive description of thermodynamic properties in binary and ternary mixtures of CH4, CO2, and n - C16H34 Type de document : texte imprimé Auteurs : Ilya Polishuk, Auteur Année de publication : 2012 Article en page(s) : pp. 14175-1418 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Carbon  dioxide  Ternary  mixture  Thermodynamic  properties  Equations  of  state Résumé : The binary and ternary mixtures considered in the present study are the most asymmetric ones for which the sound velocity and compressibility data are currently available, and their complete description, including auxiliary and phase equilibria properties, puts a challenging test for Equation of State (EoS) models. The recently proposed SAFT + Cubic EoS passes this test relatively successfully (AAD% for the single phase properties less than 6%), proving its robustness as a predictive tool. PC-SAFT appears to be the less reliable estimator of the data, whose AAD% might exceed 22%. Although the overall precision of the Soave—Benedict—Webb—Rubin (SBWR) model in predicting thermodynamic properties is better than of many popular EoS, it is not as advantageous as SAFT + Cubic (AAD% for the single phase properties less than 12%). The major difficulty of SBWR is modeling phase equilibria in asymmetric systems due to the prediction of the unrealistic U-type LLE critical loci. Nevertheless, the significant practical potential of SBWR for industrial applications should not be neglected, and this model deserves therefore further evaluation and development. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25299888 [article] Implementation of SAFT + Cubic, PC - SAFT, and soave – benedict – webb – rubin equations of state for comprehensive description of thermodynamic properties in binary and ternary mixtures of CH4, CO2, and n - C16H34 [texte imprimé] / Ilya Polishuk, Auteur . - 2012 . - pp. 14175-1418. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp. 14175-1418 Mots-clés : Carbon  dioxide  Ternary  mixture  Thermodynamic  properties  Equations  of  state Résumé : The binary and ternary mixtures considered in the present study are the most asymmetric ones for which the sound velocity and compressibility data are currently available, and their complete description, including auxiliary and phase equilibria properties, puts a challenging test for Equation of State (EoS) models. The recently proposed SAFT + Cubic EoS passes this test relatively successfully (AAD% for the single phase properties less than 6%), proving its robustness as a predictive tool. PC-SAFT appears to be the less reliable estimator of the data, whose AAD% might exceed 22%. Although the overall precision of the Soave—Benedict—Webb—Rubin (SBWR) model in predicting thermodynamic properties is better than of many popular EoS, it is not as advantageous as SAFT + Cubic (AAD% for the single phase properties less than 12%). The major difficulty of SBWR is modeling phase equilibria in asymmetric systems due to the prediction of the unrealistic U-type LLE critical loci. Nevertheless, the significant practical potential of SBWR for industrial applications should not be neglected, and this model deserves therefore further evaluation and development. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25299888

Modeling of viscosities in extended pressure range using SAFT + cubic EoS and modified yarranton–satyro correlation / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 51 N° 41 (Octobre 2012) 

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Semi - theoretical versus entirely empirical / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 50 N° 19 (Octobre 2011) 

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