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7 results for “polymer crystallization”
Dataset Nucleation Patterns of Polymer Crystals Analyzed by Machine Learning Models
<p>This dataset contains the raw data (01_raw_data), processed data (02_processed_data), and plotting scripts (03_figures) related to the paper:</p> <p>"Nucleation Patterns of Polymer Crystals Analyzed by Machine Learning Models"<br>Atmika Bhardwaj, Jens-Uwe Sommer, Marco Werner</p> <p>Macromolecules <strong>2024</strong>; DOI: <a href="10.1021/acs.macromol.4c00920">10.1021/acs.macromol.4c00920</a></p> <p>Please refer to the README.md files in their respective folders.</p>
Entropy-Driven Crystallization of Hard Colloidal Mixtures of Polymers and Monomers
<p>Data archive corresponding to the publication "Entropy-Driven Crystallization of Hard Colloidal Mixtures of Polymers and Monomers " by O. Bouzid <em>et al</em>., Polymers <strong>16</strong>, 2311 (2024). </p> <p>Preprint available at: 10.20944/preprints202407.0786.v1</p> <p>Please see README.txt for instructions on how to access and read the files from the crystallographic analysis based on the CCE norm descriptor.</p> <p>All system configurations have been generated and successively analyzed by the Simu-D software.</p> <p> </p> <p>This research was funded by MICINN/FEDER (Ministerio de Ciencia, Innovación y Universidades, Fondo Europeo de Desarrollo Regional), grant number “PID2021-127533NB-I00”, by the scholarship program from the Algerian Ministry of Higher Education and Scientific Research and by UPM and Santander Bank, “Programa Propio UPM Santander”.</p>
Polymorphism and Perfection in Crystallization of Hard Sphere Polymers
<p>Data archive corresponding to the publications "Polymorphism and Perfection in Crystallization of Hard Sphere Polymers" by M. Herranz et al., Polymers 14, 4435 (2022); DOI: https://doi.org/10.3390/polym14204435</p> <p>Please see README.txt for instructions on how to access and read the files from the crystallographic analysis based on the CCE norm descriptor.</p> <p>All snapshots have been generated and successively analyzed by the Simu-D software.</p>
Fine-Tuning of Colloidal Polymer Crystals by Molecular Simulation
<p>Data archive corresponding to the manuscript "Fine-Tuning of Colloidal Polymer Crystals by Molecular Simulation" by M. Herranz et al., Phys. Rev. E 107, 064605 (2023); DOI: 10.1103/PhysRevE.107.064605</p> <p>Please see README.txt for instructions on how to access and read the files from the crystallographic analysis based on the CCE norm descriptor.</p> <p>All snapshots have been generated and successively analyzed by the Simu-D software.</p>
Polymer-assisted modification of metal-organic framework MIL-96 (Al): influence on particle size, crystal morphology and perfluorooctanoic acid (PFOA) removal
<p>Dataset supporting publication.</p> <p><strong>Polymer-assisted modification of metal-organic framework MIL-96 (Al): influence of HPAM concentration on particle size, crystal morphology and removal of harmful environmental pollutant PFOA</strong></p> <p>Chemosphere, <a href="https://doi.org/10.1016/j.chemosphere.2020.128072">https://doi.org/10.1016/j.chemosphere.2020.128072</a></p> <p>Preprint available from ChemRxiv, <a href="https://doi.org/10.26434/chemrxiv.12262010.v2">https://doi.org/10.26434/chemrxiv.12262010.v2</a></p> <p><strong>Abstract</strong></p> <p>A new synthesis method was developed to prepare an aluminum-based metal organic framework (MIL-96) with a larger particle size and different crystal habits. A low cost and water-soluble polymer, hydrolyzed polyacrylamide (HPAM), was added in varying quantities into the synthesis reaction to achieve >200% particle size enlargement with controlled crystal morphology. The modified adsorbent, MIL-96-RHPAM2, was systematically characterized by SEM, XRD, FTIR, BET and TGA-MS. Using activated carbon (AC) as a reference adsorbent, the effectiveness of MIL-96-RHPAM2 for perfluorooctanoic acid (PFOA) removal from water was examined. The study confirms stable morphology of hydrated MIL-96-RHPAM2 particles as well as a superior PFOA adsorption capacity (340 mg/g) despite its lower surface area, relative to standard MIL-96. MIL-96-RHPAM2 suffers from slow adsorption kinetics as the modification significantly blocks pore access. The strong adsorption of PFOA by MIL-96-RHPAM2 was associated with the formation of electrostatic bonds between the anionic carboxylate of PFOA and the amine functionality present in the HPAM backbone. Thus, the strongly held PFOA molecules in the pores of MIL-96-RHPAM2 were not easily desorbed even after eluted with a high ionic strength solvent (500 mM NaCl). Nevertheless, this simple HPAM addition strategy can still chart promising pathways to impart judicious control over adsorbent particle size and crystal shapes while the introduction of amine functionality onto the surface chemistry is simultaneously useful for enhanced PFOA removal from contaminated aqueous systems.</p>
Data for: Stereoregular radical polymers enable selective spin transfer - computational studies (Data S1 and S2) and crystal structure of M1
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Fabrication and Experimental Characterisation of Tuneable Polymer-based Photonic Crystal Sensors
<p>Holographic sensors in the Yetisen Group at Imperial College London</p>
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