Ion Exchange in Metal–Organic Framework for Water Purification: Insight from Molecular Simulation

Nalaparaju, Anjaiah; Jiang, Jianwen

doi:10.1021/jp210082f

Cited by 82 publications

(53 citation statements)

References 34 publications

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“…O aumento da população mundial e o desenvolvimento econômico introduziu uma enorme quantidade de contaminantes, como os íons metálicos [1]. A não remoção de metais de efluentes pode causar danos tanto à saúde humana quanto à indústria, pois metais como cálcio e magnésio são associados à dureza da água [2].…”

Section: Introductionunclassified

Identificação dos mecanismos de sorção em zeólita NaY e sílica gel

et al. 2017

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RESUMOO estudo do mecanismo de sorção e da influência do pH inicial da solução em materiais sólidos se faz necessário, pois o simples fato de alterar o valor de pH da solução pode alterar a capacidade de sorção de um adsorvato. Foi avaliada a sorção dos íons Ca 2+ e Mg 2+ em três valores de pH dependendo do ponto de carga zero (pHPCZ) em zeólita NaY ou sílica gel (pH < pHPCZ; pH = pHPCZ; pH > pHPCZ). Foi obtida a cinética de sorção e ajustados os modelos de pseudo-primeira ordem, pseudo-segunda ordem e difusão intrapartícula dos íons nos dois materiais de estudo. Na zeólita NaY o valor de pH que obteve maior capacidade de sorção foi o 4,3 (pH < pHPCZ) e o modelo de pseudo-segunda ordem obteve um melhor ajuste aos dados experimentais. Neste material a quantidade adsorvida é pequena quando comparada à troca iônica. Enquanto, na sílica gel a maior capacidade de sorção se deu no valor de pH de 6,7 (pH > pHPCZ) e o modelo que melhor se ajustou aos dados experimentais também foi o de pseudo-segunda ordem, concluindo-se que a adsorção é o principal mecanismo de sorção. Palavras-chave:Mecanismo de sorção; Sílica gel; Zeólita NaY; Ponto de carga zero. ABSTRACTThe study of the sorption mechanism and the initial pH of the solution influence in solid materials is necessary, because the simple fact of changing the pH of the solution can modify the sorption capacity of an adsorbate. It was evaluated the sorption of ions Ca 2+ and Mg 2+ at three pH values depending on the point of zero charge (pHPZC) on NaY zeolite or silica gel (pH < pHPZC; pH = pHPZC; pH > pHPZC). The sorption kinetics was obtained and adjusted by models of pseudo-first-order, pseudo-second-order and intraparticle diffusion of ions in the two studyied materials. In NaY zeolite adsorbent, the pH value had a higher sorption capacity was 4.3 (pH < pHPZC) and pseudo-second-order model showed a better fit to the experimental data. In this material the adsorbed amount is small when compared to ion exchange. While in the silica gel, the highest sorption capacity occurred at pH 6.7 (pH > pHPZC) and the model that best fit the data experimental was also the pseudo-second-order, concluding that the adsorption is main sorption mechanism.Keywords: Sorption mechanism; Silica gel; NaY zeolite; Point of zero chance. INTRODUÇÃOO aumento da população mundial e o desenvolvimento econômico introduziu uma enorme quantidade de contaminantes, como os íons metálicos [1]. A não remoção de metais de efluentes pode causar danos tanto à saúde humana quanto à indústria, pois metais como cálcio e magnésio são associados à dureza da água [2]. Para a remoção desses metais presentes nos efluentes, são utilizados diversos processos, como a precipitação química, coagulação, floculação, evaporação, decantação e processos com membrana [3]. Entretanto, em geral, estes processos apresentam alto custo operacional e/ou baixa eficiência no caso de baixas concentrações de metais dissolvidas nos efluentes [4,5,6,7]. Neste contexto, os processos de adsorção/troca iônica vêm se constituindo em alternat...

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Section: Introductionunclassified

Identificação dos mecanismos de sorção em zeólita NaY e sílica gel

et al. 2017

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“…97 As the next example, an anionic nanoporous framework material with mobile guest cations [HDMA] 3 [(Cu 4 Cl) 3 -(btc) 8 ]$ 9DMA (43) has been reported. This MOF can perform ionexchange with tetraalkylammonium cations, such as TMA (44), TEA (45) or TPA (46). The research group also indicated that cation-exchange within this anionic framework creates unusual pore partition effects on gas separation (CO 2 /N 2 ).…”

Section: àmentioning

confidence: 99%

“…Most inorganic ionexchanges occur in small pore sizes and thus, the kinetics of the ion-exchange is slow, though organic exchangers, such as polymer resins, display rapid ion-exchange. 44 In the other aspect, ion-exchange can be divided into cationexchange and anion-exchange. This study outlines the available observations of all types of exchange that occurs in the pores of MOFs and the general trends and future studies can be outlined.…”

Section: Introductionmentioning

confidence: 99%

Post-synthetic ion-exchange process in nanoporous metal–organic frameworks; an effective way for modulating their structures and properties

2017

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“…It is self-assembled by noncovalent forces involving hydrogen bonding, coordinating bonds, aromatic p-stacking interactions, electrostatic and charge-transfer attractions [1]. Supramolecular assembly is a central theme in the design of new solid state structures with unusual conductance, gas storage, ion exchange, luminescence, catalysis, electrooptic or magnetic properties [2][3][4][5][6][7][8]. Interest has been focused on supramolecular networks constructed from hydrogen bonds and pÁÁÁp stacking interactions.…”

Section: Introductionmentioning

confidence: 99%

“…Crystal data and structure refinement parameters for complexes[1][2][3][4] is 228 cm -1 , which indicates the presence of monodentate coordination mode in 1-3. The IR spectrum of the complex 4 shows a wide band with a peak at 3,359 cm -1 is attributed to the O-H stretching vibrations.…”

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confidence: 97%

Synthesis, Characterization and Properties of Four 3-D Supramolecular Architectures Assembled by Ni(II), Co(II), Zn(II), Cu(II) and 4-Nitro-1,3-benzenedicarboxylic Acid

Zhao¹,

Xiong

2015

J Inorg Organomet Polym

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Four new complexes M(NO 2 -HBDC) 2 (H 2 O) 4 Á 2H 2 O [M = Ni (1), Co (2) and Zn (3)] and [Cu(NO 2 -BDC)(H 2 O) 3 ] 2 (4) (NO 2 -H 2 BDC = 4-nitro-1,3-benzenedi carboxylic acid) were prepared under hydrothermal conditions and were determined by single-crystal X-ray diffraction. X-ray structural analysis reveals that hydrogen bonds among the coordination water molecules and carboxyl oxygen atoms in complexes 1-3 bridge molecules forming an infinite chain, which is further interconnected to form a 3-D framework by a novel infinite 1-D metal-water chain containing the cyclic uudd water tetramer. In complex 4, Two five-coordinated Cu atoms are interlinked by NO 2 -BDC ligands and coordinated water molecules to form a 3-D framework via hydrogen bonds and pÁÁÁp stacking interactions. The elemental analysis, IR spectra, UV-vis and thermogravimetric analysis of complexes 1-4 were examined. The photoluminescence properties of complex 3 and temperature-dependent magnetic susceptibility for complex 4 were also studied.

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Ion Exchange in Metal–Organic Framework for Water Purification: Insight from Molecular Simulation

Cited by 82 publications

References 34 publications

Identificação dos mecanismos de sorção em zeólita NaY e sílica gel

Identificação dos mecanismos de sorção em zeólita NaY e sílica gel

Post-synthetic ion-exchange process in nanoporous metal–organic frameworks; an effective way for modulating their structures and properties

Synthesis, Characterization and Properties of Four 3-D Supramolecular Architectures Assembled by Ni(II), Co(II), Zn(II), Cu(II) and 4-Nitro-1,3-benzenedicarboxylic Acid

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