ArticleThe journal of physical chemistry. B2025
Effective Interaction Strength in Simulations of Liquid Mixtures: A Configuration-Dependent Species-Specific Measure of Interaction Enthalpies.
Article in The journal of physical chemistry. B, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
2 citing papers in PubMed.
- From Atomic Interactions to Molecular Miscibility and Philicity: Deciphering Enthalpic Driving Forces.The journal of physical chemistry. A · 2026Article
- Molecular Origins of Philicity: How Atomic Interactions Determine Miscibility and Diffusivity.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The thermodynamics of mixing and demixing of molecular liquids poses a perpetual challenge for atomistic simulations. We provide a computational tool, the effective interaction strength, which can be used to quantify the enthalpic contribution of individual species-dependent interactions. The effective interaction strength is configuration-dependent and thus reflects how the actual simulated state (i.e., mixed or phase separated) affects the average particle interactions. Beyond that, the effective interaction strength can be utilized to gain atomistic insight into complex phenomena, including the fundamental nature of the philicity of a compound and the contributions of individual functional groups to this philicity.
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Registered trials
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