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Intermolecular Forces

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Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...

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Automated Lipid Bilayer Membrane Formation Using a Polydimethylsiloxane Thin Film

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Formation of Polyimide Membranes via Non-Solvent Induced Phase Separation: Insight from Molecular Dynamics

George V Theodorakopoulos¹, Dionysios S Karousos¹, Evangelos P Favvas¹

¹Institute of Nanoscience and Nanotechnology, NCSR Demokritos, Athens, Greece.

|April 16, 2024

Summary

Molecular dynamics simulations explored polyimide membrane formation using n-methyl-2-pyrrolidone (NMP) and a greener solvent, γ-butyrolactone (GBL). Both solvents yielded similar porous structures, with GBL showing slightly narrower pore distributions, impacting surface wettability.

Keywords:

non-solvent induced phase separation pore size distribution porous polymers specific surface area

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Area of Science:

Materials Science
Polymer Chemistry
Chemical Engineering

Background:

Polyimide membranes are crucial for separation processes.
Non-solvent induced phase separation (NIPS) is a key fabrication method.
Investigating greener solvents is essential for sustainable materials development.

Purpose of the Study:

To investigate P84 polyimide membrane formation via NIPS using both conventional (NMP) and greener (GBL) solvents.
To compare the morphological characteristics and surface properties of membranes formed from these different solvent systems.
To understand the influence of polymer concentration and solvent choice on membrane structure and wettability.

Main Methods:

Molecular dynamics simulations were employed to model the phase separation process.
Polymer solutions were prepared at compositions along the binodal boundaries determined from experimental cloud point data.
Membrane morphology was analyzed, and surface wettability was assessed.
Brunauer-Emmet-Teller (BET) analysis was used to characterize the nanostructure surface area.

Main Results:

Both NMP and GBL systems successfully formed porous polyimide membranes.
Membrane morphology was qualitatively similar between the two solvent systems.
Surface wettability correlated with polymer content and BET specific surface area.
GBL-derived membranes exhibited slightly narrower pore size distributions compared to NMP-derived ones.

Conclusions:

GBL is a viable greener alternative to NMP for fabricating P84 polyimide membranes with comparable porous structures.
Polymer concentration significantly influences membrane surface wettability.
The NIPS process, simulated via molecular dynamics, offers insights into controlling membrane morphology and properties.