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Review the development of classical density functional theory (CDFT) frameworks, computational algorithms, and their practical engineering applications at fluid interfaces.

September 11, 2024Scientia Sinica ChimicaOpen Access

Development and application of classical density functional theory on fluid interfaces

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Review the development of classical density functional theory (CDFT) frameworks, computational algorithms, and their practical engineering applications at fluid interfaces.
Synthesized theoretical advancements in statistical mechanics-based CDFT modeling and accelerated computation software.
Evaluated CDFT implementation across interfacial systems, comparing computational performance against molecular simulations and traditional analytical theories.
Demonstrated that CDFT achieves comparable accuracy to molecular simulation with markedly higher computational efficiency while resolving fine intermolecular interactions better than traditional analytical methods.
Highlighted successful interfacial applications in high-performance adsorption separation, electrochemical energy storage, polymer brush interface modifications, and chemical enhanced oil recovery.

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Implication

Narrative review outlines advances in classical density functional theory for non-uniform fluid interfaces, highlighting its computational efficiency and diverse engineering applications.

Cite This Study

Cheng et al. (2024) studied this question.

synapsesocial.com/papers/6a726cbffe4101aa97e0d8d5 https://doi.org/10.1360/ssc-2024-0151

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Implication

Narrative review outlines advances in classical density functional theory for non-uniform fluid interfaces, highlighting its computational efficiency and diverse engineering applications.

Development and application of classical density functional theory on fluid interfaces

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Discussion

Implication

Cite This Study

Development and application of classical density functional theory on fluid interfaces

Key Points

Discussion

Implication

Cite This Study

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