Research Highlights - GAP 1

M-WET project years 2018 to 2021

The Donnan Potential Revealed

Using tender-APXPS, we have directly measured the Donnan potential at the membrane/solution interface for CR-61 membranes equilibrated with NaCl and MgCl2 solutions.

Effects of Amphiphilic Polypeptoid Side Chains on Polymer Surface Chemistry and Hydrophilicity

In situ ambient pressure X-ray photoelectron spectroscopy (APXPS) reveals that polypeptoid-modifications can alter polymer interactions with water and instigate surface restructuring.

Sequence modulates polypeptoid hydration water structure and dynamics

Demonstrated that changes in both the number and placement of nonpolar monomers in the polypeptoid sequence affects both local water structure and dynamics and that such effects are correlated.

Quantifying polypeptoid conformational landscapes through integrated experiment and simulation

Proposed and cross-validated experimental and computational workflows to analyze structural populations of disordered polypeptoids.

Molecular Orientation and Structure in Model Ultrathin Layer-by-Layer Polyamide RO Membranes

Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy reveals molecular orientation varies with film thickness in layer-by-layer grown model RO membranes.

Simulations Reveal Complexity of Solute Affinity to Surfaces

Phase-field simulations demonstrate that mass-transfer-driven spinodal decomposition, thermal fluctuations, and structural arrest are essential to the formation of asymmetric polymer membranes in the Nonsolvent-Induced Phase Separation process.

Quantifying Polypeptoid Conformational Landscapes Through Integrated Experiment and Simulation

Proposed and cross-validated experimental and computational workflows to analyze structural populations of disordered polypeptoids.

End-to-end Distance Measurements of Aqueous Low-Molecular-Weight Polyethylene Oxide

Fully resolved end-to-end distance probability distribution measurements and simulations for aqueous polyethylene oxide (PEO) establish semi-flexible, excluded volume polymer.

Directly Probing Polymer Thin Film Chemistry and Counterions Influence on Water Sorption

Tender APXPS results provide direct quantification of hydration on polymers in situ at the molecular level.