Correlations of surface free energy and solubility parameters for solid substances

Yu, Weiyan; Hou, Wanguo

doi:10.1016/j.jcis.2019.02.074

Cited by 31 publications

(24 citation statements)

References 30 publications

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“…While previous models also relied on molar volume, − Jia and Shi recently proposed a direct correlation between γ D and δ D that was applicable to liquids and polymers. Yu and Hou generalized these models to the various components of surface tension. Four empirical equations were proposed: γ = f ( δ T ) (eq ); γ = f ( δ D , δ P , δ H ) (eq ); γ D = f ( δ D ) (eq ); and γ P = f ( δ P , δ H ) (eq ).…”

Section: A Model For the Wettability Of Cnc Films Based On The Orient...mentioning

confidence: 99%

“…The model, which does not require any computer simulations, relies on two recent empirical investigations: the first determined the Hansen solubility parameters (HSP) of CNC polar and nonpolar surfaces; 6 the other established the first correlations between Hansen solubility and surface tension parameters for solids. 15 The method provides estimates for the surface tension parameters of CNC surfaces that rely on empirical evidences only. Experimental validation requires the production of macroscopic surfaces with a controlled orientation of the nanocrystals.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Here, we propose an alternate approach that combines modeling, to discriminate between the amphiphilic surfaces of the nanocrystals, with experimental validation. The model, which does not require any computer simulations, relies on two recent empirical investigations: the first determined the Hansen solubility parameters (HSP) of CNC polar and non-polar surfaces; the other established the first correlations between Hansen solubility and surface tension parameters for solids . The method provides estimates for the surface tension parameters of CNC surfaces that rely on empirical evidences only.…”

Section: Introductionmentioning

confidence: 99%

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Orienting Cellulose Nanocrystal Functionalities Tunes the Wettability of Water-Cast Films

et al. 2020

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Cellulose nanocrystal (CNC)-based materials display apparently erratic wetting behaviors with contact angle (CA) variations as large as 30°from sample to sample. This work hypothesizes that it is the orientation of CNC amphiphilic functionalities at the interface with air that causes the variability in CA. By exploiting relationships with the Hansen solubility parameter theory, a set of surface tension parameters is proposed for both the polar and the non-polar surfaces of cellulose I β nanocrystals. These coefficients elucidate the wettability of CNC materials by establishing a correlation between the wetting properties of the air/sample interface and its chemical composition in terms of non-polar moieties. Advancing/receding CA experiments suggest that, while spin-coating CNC suspensions yield purely polar films, oven-casting them produces amphiphilic surfaces. We proposed a mechanism where the state of dispersion (individual or agglomerated) in which CNCs reach the air/water interface during casting is the determining factor: while individual nanocrystals find it more stable to orient their non-polar surfaces toward the interface, the aspect ratio of CNC agglomerates favors an orientation of their polar surfaces. This represents the first compelling evidence of CNC orientation at an interface and can be applied to Pickering emulsions and nanocomposites and to the production of CNC materials with tuned wettability.

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Section: A Model For the Wettability Of Cnc Films Based On The Orient...mentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Orienting Cellulose Nanocrystal Functionalities Tunes the Wettability of Water-Cast Films

et al. 2020

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“…From this perspective, the role of IPA can be assumed to increase the wettability of the perovskite precursor film. The solubility parameters might be adopted to explain the function for understanding briefly. ,, A smaller difference of solubility parameters could be found between IPA and CB than that of perovskite and CB, and more similar solubility parameters usually demonstrate the stronger attraction and higher affinity between the substrate and solvent . As a result, the residual IPA in the as-deposited wet FAI/MACl film would enhance the adhesion of the PffBT4T-C 9 C 13 solution to verify the deposition of the polymer.…”

Section: Resultsmentioning

confidence: 99%

Improved Efficiency and Stability of Perovskite Solar Cells Using a Difluorobenzothiadiazole-Based Interfacial Material

Zhao

Dai

et al. 2021

ACS Appl. Energy Mater.

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The humidity stability of the perovskite solar cell (PSC) is an important issue, which limits its commercialization and practical application. To construct a waterproof interface upon a perovskite film is a valid strategy to improve the stability. In this article, a difluorobenzothiadiazole-based polymer, PffBT4T-C9C13, is employed as an interfacial material and a water barrier on the perovskite by a well-designed deposition method. A uniform perovskite film with a large crystal grain is obtained after the decoration of the polymer owing to its positive impact on the crystal growth. PffBT4T-C9C13 not only protects perovskite from water corrosion but also passivates the surface defects of perovskite. Charge accumulation at the interface is sufficiently suppressed, which is of benefit for the charge transport and extraction. As a result, PSCs with the structure of ITO/TiO2/MA1–x FA x PbI3/PffBT4T-C9C13/spiro-MeOTAD/Ag achieve the highest power conversion efficiency of 20.21%. More importantly, remarkable improvement of the humidity stability is achieved for both perovskite films and PSCs with PffBT4T-C9C13. The unencapsulated device retains more than 80% of its highest power conversion efficiency after 14 days’ aging in humidity of about 50%, and no apparent decomposition of the modified film is observed in 93 days. Therefore, this scheme provides a valuable approach to develop highly efficient and highly stable PSCs.

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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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Correlations of surface free energy and solubility parameters for solid substances

Cited by 31 publications

References 30 publications

Orienting Cellulose Nanocrystal Functionalities Tunes the Wettability of Water-Cast Films

Orienting Cellulose Nanocrystal Functionalities Tunes the Wettability of Water-Cast Films

Improved Efficiency and Stability of Perovskite Solar Cells Using a Difluorobenzothiadiazole-Based Interfacial Material

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

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