Evaluating the SAFT-VR and the Sanchez–Lacombe EOS for Modeling the                 Solubility of Blowing Agents in Polyols

Challa, Venkata V.; Visco, Donald P.

doi:10.1177/0021955x05059035

Cited by 9 publications

(7 citation statements)

References 15 publications

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“…The amounts of HFC-152a and HFC-134a consumed are 2,240 tons and 1,108 tons, respectively, which together account for the largest portion of total gas consumption of 5,350 tons. This is because HFC-152a and HFC-134a are used to manufacture foam blowing, and fire suppression and explosion has increased due to the growth of the foam blowing, fire suppression and explosion industry [37][38][39].…”

Section: Foam Blowing and Fire Suppression And Explosion Application Areasmentioning

confidence: 99%

Estimation, and Framework Proposal of Greenhouse Gas Emissions of Fluorinated Substitutes for Ozone-Depleting Substances by Application Area in the Republic of Korea

Jung

Park

2020

Sustainability

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Since fluorine compounds have both high ozone depletion potential and high global warming potential, the study of hydrofluorocarbons (HFCs) and perfluorocarbons (PFCs) is crucial for climate change research. In this study, greenhouse gas (GHG) emissions from ozone-depleting industries in the Republic of Korea were estimated based on survey data on the use of fluorine compounds. This study is a response to the growing global attention to halocarbons that arose from the Kigali Amendment to the Montreal Protocol. Survey data on the consumption of fluorine compounds by application area were used to estimate emissions by applying the 2019 refinement IPCC Guidelines Tier 1a method. In addition, both the consumption ratio of fluorine compounds in the refrigeration and air conditioning application area and total fluorine compounds consumption by application area were compared with the values suggested by the UN Environment Programme to compare the current status with that in developing and developed countries. By comparing the derived GHG emissions with current emissions in the National Inventory Report, it was confirmed that 14,565 GgCO2eq of GHG emissions differed. In addition, through the replacement of fluorine compounds used as refrigerants, 14,422 GgCO2eq of the GHG emissions can be reduced.

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Section: Foam Blowing and Fire Suppression And Explosion Application Areasmentioning

confidence: 99%

Estimation, and Framework Proposal of Greenhouse Gas Emissions of Fluorinated Substitutes for Ozone-Depleting Substances by Application Area in the Republic of Korea

Jung

Park

2020

Sustainability

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“…For the four blowing agents and three polyols used in this work, we use pure component parameters based on parametrizations previously reported . A more detailed description of the methodology employed in the parametrizations are contained in that work.…”

Section: Theoretical Sectionmentioning

confidence: 99%

“…Experiments were performed using a degassed vapor pressure apparatus on the basis of the principle of the pressure decay method − and were designed in house. The experimental results were correlated with the Sanchez−Lacombe equation of state (SL EOS) partially on the basis of parametrizations that were previously performed by our group . To the best of our knowledge, only Decaire et al have provided experimental work on one set of systems, namely, the solubility of the four blowing agents in Pluracol 975.…”

Section: Introductionmentioning

confidence: 99%

Solubility of HFC32, HFC125, HFC152a, and HFC143a in Three Polyols

Yelisetty

Visco

2009

J. Chem. Eng. Data

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The solubility of a blowing agent in a polyol plays an important role in determining the overall quality of the polyurethane foam. For many years, concerns have been raised about the high ozone depleting potential (ODP) of traditionally used blowing agents such as chlorofluorocarbons and hydrochlorofluorocarbons. To this end, hydrofluorocarbons (HFCs) have been identified to be long-term replacements as the future blowing agents. In this study, we chose four HFCs, namely, HFC-125 (1,1,1,2,2-pentafluoroethane), HFC-152a (1,1-difluoroethane), HFC-143a (1,1,1-trifluoroethane), and HFC-32 (difluoromethane), and measured their solubilities in three polyols, namely, Pluracol 975, Pluracol 355, and Terol 352, using a degassed vapor pressure apparatus. Results indicate that there is a prominent effect of the structure of the blowing agent molecule and the functionality of the polyol on the solubility. HFC152a showed good solubility in Pluracol 975 and Pluracol 355, whereas all blowing agents showed limited solubility in Terol 352. In general, the least soluble blowing agent was HFC-143a. The experimental results have been correlated with the Sanchez−Lacombe equation of state, which was able to describe the polyol + blowing agent systems well.

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“…Its success comes from its mathematical simplicity when compared to equations of state, while the results produced are quite acceptable for several common polymer systems. The Sanchez−Lacombe equation of state (EoS), , also developed from the lattice fluid theory, has also been quite successful in modeling vapor−liquid equilibria and liquid−liquid equilibria of polymer systems. , …”

Section: Introductionmentioning

confidence: 99%

“…The Sanchez-Lacombe equation of state (EoS), 3,4 also developed from the lattice fluid theory, has also been quite successful in modeling vapor-liquid equilibria and liquid-liquid equilibria of polymer systems. 5,6 One approach that is rising in popularity, due to its accuracy, is the estimation of thermodynamic properties of polymer solutions by the statistical association fluid theory (SAFT). The SAFT equation is based on Wertheim's (TPT1) theory, [7][8][9][10] and it was later converted into an useful model by Chapman et al 11 The underlying concept behind SAFT is its description of the molecules of interest.…”

Section: Introductionmentioning

confidence: 99%

Phase Equilibria Calculations of Polyethylene Solutions from SAFT-Type Equations of State

et al. 2006

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We present here phase equilibria calculations of polyethylene solutions in different solvents as obtained with two versions of the SAFT equation of state, soft-SAFT and PC-SAFT. The objective of this work is twofold: to check the accuracy of the soft-SAFT equation in providing reliable polymer solutions behavior and to propose a methodology from which systematic studies on polymer solutions can be made by the use of transferable molecular parameters. Some issues regarding the fitting of molecular parameters from polymer data as well as the numerical problems associated with polymer phase equilibria calculations are also mentioned. The methodology is applied to model the phase equilibria of polyethylene solutions with several solvents, differing in size and polarity, including n-pentane, n-hexane, butyl acetate, and pentanol, and results are compared to available experimental data. The phase behavior explored in this work is wide, from vapor-liquid equilibria to liquid-liquid equilibria, displaying upper critical solution temperatures and lower critical solution temperatures. We have also calculated the solubility of ethylene in polyethylene with the same models. Results obtained from the soft-SAFT equation are slightly more accurate in some of the cases than the PC-SAFT equation. Both equations, soft-SAFT and PC-SAFT, follow most of the experimental trends, providing accurate predictions from pure component parameters in some of the cases, while a binary interaction parameter was needed for the butyl acetate, 1-pentanol, and ethylene binary mixtures.

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Evaluating the SAFT-VR and the Sanchez–Lacombe EOS for Modeling the Solubility of Blowing Agents in Polyols

Cited by 9 publications

References 15 publications

Estimation, and Framework Proposal of Greenhouse Gas Emissions of Fluorinated Substitutes for Ozone-Depleting Substances by Application Area in the Republic of Korea

Estimation, and Framework Proposal of Greenhouse Gas Emissions of Fluorinated Substitutes for Ozone-Depleting Substances by Application Area in the Republic of Korea

Solubility of HFC32, HFC125, HFC152a, and HFC143a in Three Polyols

Phase Equilibria Calculations of Polyethylene Solutions from SAFT-Type Equations of State

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