Communication: First-principles evaluation of alkali ion adsorption and ion exchange in pure silica LTA zeolite
نویسندگان
چکیده
منابع مشابه
Pure silica gel as cation−exchange stationary phase in ion chromatography for mono− and divalent cations
Ion chromatography (IC) developed by Small et al . [1] is widely recognized as a simple, powerful and convenient analytical technique for the determination of various low−molecular−weight ionic compounds [2, 3]. Firstly, IC with conductimetric detection (IC−CD) was mainly applied for the determination of inorganic anions. This is because a lightly sulfonated styrene−divinylbenzene co−polymer (S...
متن کاملAdsorption characteristics of ammonium ion by zeolite 13X.
With synthetic wastewater, lab-scale batch experiments and column experiments were carried out to investigate the adsorption characteristics of ammonium ion by zeolite 13X which is a hydrothermally synthetic byproduct accompanied with preparation of potassium carbonate from insoluble potash ores. The Langmuir and Freundlich models were applied to describe the equilibrium isotherms for ammonium ...
متن کاملIon-specific adsorption and electroosmosis in charged amorphous porous silica.
Monovalent and divalent aqueous electrolytes confined in negatively charged porous silica are studied by means of molecular simulations including free energy calculations. Owing to the strong cation adsorption at the surface, surface charge overcompensation (overscreening) occurs which leads to an effective positive surface next to the Stern layer, followed by a negatively charged diffuse layer...
متن کاملAcoustic Evaluation of Ion-exchange
The acoustic properties of ion-exchange resins strongly depend on the hydration natures of counterions as well as the cross-linking percentage and base materials. In this paper, ionexchange resin particles are discriminated on the basis of the acoustic nature of counterions using a coupled acoustic-gravity field. Ion-exchange resin particles are aggregated at the equilibrium positions, which ar...
متن کاملFirst-principles theory of frozen-ion flexoelectricity
We demonstrate that the frozen-ion contribution to the flexoelectric coefficient is given solely in terms of the sum of third moments of the charge-density distortions induced by atomic displacements, even for ferroelectric or piezoelectric materials. We introduce several practical supercell-based methods for calculating these coefficients from first principles, and demonstrate them by computin...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2018
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5051347