التفاصيل البيبلوغرافية
| العنوان: |
Molecular Clustering in Formaldehyde–Methanol–Water Mixtures Revealed by High-Intensity, High‑q Small-Angle Neutron Scattering |
| المؤلفون: |
Swarit Dwivedi (9773856), Jitendra Mata (5570276), Samir H. Mushrif (1559155), Alan L. Chaffee (1333617), Akshat Tanksale (2828237) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Biochemistry, Medicine, Molecular Biology, Ecology, Cancer, Inorganic Chemistry, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, methanol compositions, SANS, MD simulation results, fmw, mw, 0.5. Linear chains, mixture, formaldehyde, solute, cluster, microphase |
| الوصف: |
Methanol–Water (mw) mixtures, with or without a solute, display a nonideal thermodynamic behavior, typically attributed to the structure of the microphase. However, experimental observation of the microphase structures at the molecular length scale has been a challenge. We report the presence of molecular clusters in mw and formaldehyde–methanol–water (fmw) mixtures using small-angle neutron scattering (SANS) experiments and molecular dynamics (MD) simulations. Hydrophobic clusters of methanol in mw and formaldehyde–methanol in fmw mixtures were observed at low methanol compositions ( x m ≤ 0.3). A three-dimensional hydrogen-bonded network of water with the solute is observed at x m = 0.5. Linear chains of methanol surrounding the formaldehyde and water molecules were observed at high methanol compositions ( x m ≥ 0.7). The calculated size of the molecular clusters ( r ≈ 0.5 nm, spherical) from the SANS data and their volume fraction closely matched the MD simulation results. |
| نوع الوثيقة: |
text |
| اللغة: |
unknown |
| العلاقة: |
https://figshare.com/articles/online_resource/Molecular_Clustering_in_Formaldehyde_Methanol_Water_Mixtures_Revealed_by_High-Intensity_High_q_Small-Angle_Neutron_Scattering/13721786Test |
| DOI: |
10.1021/acs.jpclett.0c03515.ls01 |
| الإتاحة: |
https://doi.org/10.1021/acs.jpclett.0c03515.ls01Test |
| حقوق: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.6674A5DE |
| قاعدة البيانات: |
BASE |
