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Modeling the Phase Transition in Hydrophobic Weak Polyelectrolyte Gels under Compression

التفاصيل البيبلوغرافية
العنوان: Modeling the Phase Transition in Hydrophobic Weak Polyelectrolyte Gels under Compression
المؤلفون: Alexander D. Kazakov, Varvara M. Prokacheva, Oleg V. Rud, Lucie Nová, Filip Uhlík
المصدر: Gels, Vol 9, Iss 3, p 259 (2023)
بيانات النشر: MDPI AG, 2023.
سنة النشر: 2023
المجموعة: LCC:Science
LCC:Chemistry
LCC:Inorganic chemistry
LCC:General. Including alchemy
مصطلحات موضوعية: polyelectrolyte hydrogels, simulations, desalination, hydrophobic gels, weak polyelectrolytes, volume-phase transition, Science, Chemistry, QD1-999, Inorganic chemistry, QD146-197, General. Including alchemy, QD1-65
الوصف: One of the emerging water desalination techniques relies on the compression of a polyelectrolyte gel. The pressures needed reach tens of bars, which are too high for many applications, damage the gel and prevent its reuse. Here, we study the process by means of coarse-grained simulations of hydrophobic weak polyelectrolyte gels and show that the necessary pressures can be lowered to only a few bars. We show that the dependence of applied pressure on the gel density contains a plateau indicating a phase separation. The phase separation was also confirmed by an analytical mean-field theory. The results of our study show that changes in the pH or salinity can induce the phase transition in the gel. We also found that ionization of the gel enhances its ion capacity, whereas increasing the gel hydrophobicity lowers the pressure required for gel compression. Therefore, combining both strategies enables the optimization of polyelectrolyte gel compression for water desalination purposes.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2310-2861
Relation: https://www.mdpi.com/2310-2861/9/3/259; https://doaj.org/toc/2310-2861
DOI: 10.3390/gels9030259
URL الوصول: https://doaj.org/article/27e23c569a7f4790b6271c6f2547ceaf
رقم الأكسشن: edsdoj.27e23c569a7f4790b6271c6f2547ceaf
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:23102861
DOI:10.3390/gels9030259