عرض بسيط للتسجيلة

المؤلفAltamash, Tausif
المؤلفAtilhan, Mert
المؤلفAliyan, Amal
المؤلفUllah, Ruh
المؤلفGarcía, Gregorio
المؤلفAparicio, Santiago
تاريخ الإتاحة2021-09-05T05:40:09Z
تاريخ النشر2016
اسم المنشورRSC Advances
المصدرScopus
الرقم المعياري الدولي للكتاب20462069
معرّف المصادر الموحدhttp://dx.doi.org/10.1039/c6ra22312e
معرّف المصادر الموحدhttp://hdl.handle.net/10576/22668
الملخصThe properties of choline chloride plus phenylacetic acid deep eutectic solvents in neat liquid state and upon absorption of CO2 are analyzed using a theoretical approach combining quantum chemistry using Density Functional Theory and classic molecular dynamics methods. This study investigates the physicochemical properties, structuring, dynamics and interfacial behavior of the selected deep eutectic solvent from the nano-size point of view to infer its viability for effective CO2 capture. DFT results provided information on the mechanism of short-range interactions between CO2 and the studied DES, showing a better performance than previously studied DES. The mechanism of CO2 capture is analyzed considering model flue gas, showing a two-stage process with water, CO2 and N2 molecules developing adsorbed layers at the interface but in different regions. Water adsorbed layers would delay the migration of CO2 molecules toward bulk liquid regions, which should be considered for developing large-scale applications.
اللغةen
الناشرRoyal Society of Chemistry
الموضوعChemical analysis
Chlorine compounds
Density functional theory
Eutectics
Molecular dynamics
Molecules
Phase interfaces
Quantum chemistry
Quantum theory
Solvents
Deep eutectic solvents
Interfacial behaviors
Large-scale applications
Molecular dynamics methods
Phenylacetic acid
Physicochemical property
Short range interactions
Theoretical approach
Carbon dioxide
العنوانInsights into choline chloride-phenylacetic acid deep eutectic solvent for CO2 absorption
النوعArticle
الصفحات109201-109210
رقم العدد110
رقم المجلد6
dc.accessType Abstract Only


الملفات في هذه التسجيلة

الملفاتالحجمالصيغةالعرض

لا توجد ملفات لها صلة بهذه التسجيلة.

هذه التسجيلة تظهر في المجموعات التالية

عرض بسيط للتسجيلة