Related Experiment Video
Updated: Jun 22, 2026

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints
Published on: August 29, 2014
Estimation of molecular diffusivity of pure chemicals in water: a quantitative structure-property relationship study
1Department of Chemical Engineering, Faculty of Engineering, University of Tehran, Tehran, Iran. fghara@ut.ac.ir
Abstract:
A quantitative structure-property relationship (QSPR) study was performed to predict the molecular diffusivity of pure chemicals in water. A genetic-algorithm-based multivariate linear regression (GA-MLR) was applied to select the most statistically effective molecular descriptors for modelling the molecular diffusivity of pure chemicals in water. Based on the selected molecular descriptors, a three-layer feed forward neural network (FFNN) was constructed to predict the property. The obtained results showed that the FFNN was able to predict the molecular diffusivity of pure chemicals in water.
More Related Videos
06:34In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
Published on: September 2, 2016
06:55Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
Published on: September 26, 2016
Related Concept Videos
Intermolecular Forces and Physical Properties
Extraction: Partition and Distribution Coefficients
For extracting a solute from an aqueous phase into an organic...
Theories of Dissolution: Diffusion Layer Model
This process starts with a thin layer, saturated with the drug, forming at the interface between the solid and liquid. The solute then diffuses from this layer into the main solution. The Noyes-Whitney equation suggests that the rate of dissolution relies on the diffusion...
Determination of Molar Masses of Polymers II
Molecular Geometry and Dipole Moments
Polymers: Molecular Weight Distribution