专题:Diffusion Coefficients in Liquids

This cluster of papers focuses on the measurement, prediction, and modeling of diffusion coefficients of various organic compounds in liquid systems, including aqueous solutions and binary mixtures. The studies cover a wide range of solutes, solvents, and temperatures, and explore factors such as molecular diffusivity, solute-solvent interactions, and the effects of hydrogen bonding. Techniques such as Raman spectroscopy and neural network models are employed to investigate diffusion behavior in different liquid environments.
最新文献
A multifidelity Monte Carlo approach for simulating the diffusion coefficient of water. I. Forward problem

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Mutual diffusion coefficient of two alcohols (ethanol, n-butanol) in n-hexane from 298.15K to 308.15K

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A deep delve into molecular diffusion coefficients of oligonucleotides using the Taylor-Aris method

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AlternativeTaylor Dispersion Analysis Methodologyfor Studying Lectin-Corona on Gold Nanoparticles for CarbohydrateSensing

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Accurate Predictionof the Diffusion Coefficientsof Organic Compounds in Water by Multimodal Learning

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Correction to “Binary Mixtures of n -Alkylbenzenes and Pentadecane: Densities, Speeds of Sound, and Viscosities within the Range of 288.15 and 333.15 K and at 0.1 MPa”

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A Multifidelity Monte Carlo Approach for Simulating the Diffusion Coefficient of Water. I. Forward Problem

article Full Text OpenAlex

Enhancing Diffusion-Based Sampling with Molecular Collective Variables

preprint Full Text OpenAlex

Two-particle cumulant distribution: a probe of "true" elliptic flow

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Uncertainty in MD-Derived Diffusion Coefficients Depends on Analysis Protocol, Not Just Simulation Data

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近5年高被引文献
Kirkwood–Buff integrals: From fluctuations in finite volumes to the thermodynamic limit

article Full Text OpenAlex 28 FWCI3.10792636

Database for liquid phase diffusion coefficients at infinite dilution at 298 K and matrix completion methods for their prediction

article Full Text OpenAlex 26 FWCI7.17510272

Monte-Carlo Analysis of Asymmetry in Three-Site Relaxation Exchange: Probing Detailed Balance

preprint Full Text OpenAlex 26 FWCI3.48439247

Effect of ring-source release on dispersion process in Poiseuille flow with wall absorption

article Full Text OpenAlex 26 FWCI6.59375321

Prediction of self‐diffusion coefficients of chemically diverse pure liquids by all‐atom molecular dynamics simulations

article Full Text OpenAlex 20 FWCI5.51930979

Review of recent insights in the measurement and modelling of the B-term dispersion and related mass transfer properties in liquid chromatography

review Full Text OpenAlex 20 FWCI2.92059298

Modeling of supercritical fluid extraction bed: A critical review

review Full Text OpenAlex 19 FWCI3.01868294

Mutual and Thermal Diffusivities in Mixtures of Cyclohexane, n-Hexadecane, n-Octacosane, or n-Hexanoic Acid with Carbon Dioxide Obtained by Dynamic Light Scattering and Molecular Dynamics Simulations

article Full Text OpenAlex 19 FWCI1.99795266

Structural characterization and stability of glycated bovine serum albumin-kaempferol nanocomplexes

article Full Text OpenAlex 17 FWCI3.27880842

Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks

article Full Text OpenAlex 17 FWCI6.24794137