A novel semi-empirical method for adjusting solubility parameters to surface tension based on the use of Stefan's rule

Pereira, Cláudio Nunes; Vebber, Guilherme Cañete

doi:10.1016/j.molliq.2018.09.116

Cited by 12 publications

(3 citation statements)

References 14 publications

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“…The Hansen solubility parameter (HSP) plays a vital role in the screening of solvents − and predicting incompatibilities and interactions between substances. Moreover, different studies have been employed in the HSP concept to execute preliminary screening of solvents, which is optimum for aerogel materials and asphaltene aggregation and bitumen extracts. − The HSP has also been correlated to a wide range of properties such as the viscosity, adsorption to the solid surface, and surface tension. − However, there is no record of investigating the application of the HSPs derived from MD to the area of surfactants and emulsifiers for oil sands/bitumen recovery.…”

Section: Methodsmentioning

confidence: 99%

Insight into the Interfacial Behavior of Surfactants and Asphaltenes: Molecular Dynamics Simulation Study

Ahmadi

Chen

2020

Energy Fuels

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Heavy oil and bitumen drive the leading energy supply in Canada. Several techniques, including in situ thermal methods and mining, have been applied to the recovery of these unconventional resources. Nowadays, to improve the efficiency of in situ thermal methods, coinjection of steam and different types of additives, including chemicals, solvents, and noncondensable gases, is being investigated. Adding these additives to steam can reduce the required amount of steam and, as a result, lowers carbon dioxide emissions; meanwhile, the oil production can be improved. Different interaction mechanisms contribute to oil recovery in each type of additives. In this paper, we focused on the investigation of mechanisms using surfactant additives. One of the primary behaviors that needs to be fully understood is the interfacial behavior of surfactant molecules and asphaltene molecules, the key component of heavy oil and bitumen. Four different types of surfactants, including anionic, cationic, nonanionic, and amphoteric, were employed to study the interaction parameters between asphaltene and surfactant molecules. Two different asphaltene molecules with the archipelago and island architectures were extracted from oil sands from the Athabasca oil field in Alberta, Canada. All thermodynamic conditions were chosen based on the operational steam-assisted gravity drainage (SAGD) conditions. For the sake of comparison, different molecular analyses, including the radial distribution functions (RDFs), interfacial thickness, solubility parameter, and hydrogen bond numbers, were used. According to the results of this study, the anionic surfactant has a good interaction with asphaltenes, and it can lessen the aggregation of asphaltenes. The outcomes of this paper provide useful information to have a deeper understanding on how a surfactant interacts with asphaltene under the thermodynamic conditions of a surfactant− steam coinjection process.

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Section: Methodsmentioning

confidence: 99%

Insight into the Interfacial Behavior of Surfactants and Asphaltenes: Molecular Dynamics Simulation Study

Ahmadi

Chen

2020

Energy Fuels

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“…13,[24][25][26][27][28] Other recent studies were directed toward the development of numerical frameworks for the computation of the surface energy. [29][30][31][32] Sgouros et al 29 developed a simulation strategy for the prediction of the interfacial free energies and wetting properties of polyethylene-graphite interfaces. Aqra et al 31 proposed a theoretical model based on classical statistical thermodynamics for calculating surface tension of liquid metals.…”

Section: Introductionmentioning

confidence: 99%

“…Because it contains all the intermolecular energies holding the liquid together, it represents an important descriptor for liquid wettability. The solubility parameter has been correlated to a variety of properties such as the surface tension, refractive index and viscosity, 30,34,35 and has been proven useful for several applications in areas ranging from material design to pharmaceutics and chemical processes. 34,[36][37][38][39][40] Yet, its experimental determination is still difficult, and the solubility parameter of a large number of liquids and miscible mixtures, commonly used in inkjet printing processes, are still unknown.…”

Section: Introductionmentioning

confidence: 99%

Systematic approach for wettability prediction using molecular dynamics simulations

et al. 2020

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Evaluation of Filter Cake Oil as Antifoam in Yeast Production: New Use for this By-Product of the Sugarcane Derivatives Industry

Pérez

Llerena

Tortoló

et al. 2021

Waste Biomass Valor

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Purpuse: Fodder yeast is obtained in an aerobic fermentation process where foaming is a major problem to be solved. In this article, the antifoam property of crude and puri ed lter cake oil is evaluated in order to use this residual as an alternative to replace the import of commercial antifoam agents and to reduce the production costs of fodder yeast Method: Knock down test and the comparisons with two commercial antifoam agents were done.Blackstrap molasses medium at 20 and 40 g/L of total reducing sugar was used. All products were studied in their pure form and commercial ones also in dilutions 1:2 and 1:5 v/v. Hansen's solubility parameters (HSPs) to analyze the a nity of each defoamer for yeast were determined.Results: It was obtained the crude and puri ed lter cake oil showed similar behavior to commercial defoamers with an immediate antifoam effect, removing between 40 and 60% of the initial foam at both sugar concentrations in the rst 5 minutes. The regression model showed puri ed lter cake oil has the greatest knockdown effect (Ca = 55.85 and 74.32) and with greater foam suppression stability the commercial defoamer Quimifoam Máster (C b = -0.69 and -1.38). Ra values obtained in HSPs test, indicated the a nity of defoamers to the medium. Conclusion:Puri ed lter cake oil is an effective product for its use as an antifoam with the best knock down effect for both concentrations of sugars in the medium. The determination of HSPs corroborates the effectiveness of this product to suppress foam. Statement Of NoveltyThe use of crude lter cake oil, residual from the Cuban sugarcane derivatives industry, as an antifoam was previously studied in the 90s using it as a fatty vehicle in mixtures with esters, achieving good results. In the bibliography consulted by the authors, no recent articles are reported on its use after it has been puri ed. Therefore, the novelty of this work is the evaluation of the antifoam property of puri ed lter cake oil, which offers the possibility of a new use of this by-product with the consequent impact on the reduction of fodder yeast production cost by the replacement of commercial defoamers, products that are imported and with high prices in the market.

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A novel semi-empirical method for adjusting solubility parameters to surface tension based on the use of Stefan's rule

Cited by 12 publications

References 14 publications

Insight into the Interfacial Behavior of Surfactants and Asphaltenes: Molecular Dynamics Simulation Study

Insight into the Interfacial Behavior of Surfactants and Asphaltenes: Molecular Dynamics Simulation Study

Systematic approach for wettability prediction using molecular dynamics simulations

Evaluation of Filter Cake Oil as Antifoam in Yeast Production: New Use for this By-Product of the Sugarcane Derivatives Industry

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