Sorption and Diffusion of n-Heptane in 5A Zeolite

1974 ◽  
Vol 52 (15) ◽  
pp. 2717-2724 ◽  
Author(s):  
I. H. Doetsch ◽  
D. M. Ruthven ◽  
K. F. Loughlin
Keyword(s):  
Activation Energy ◽  
Chemical Potential ◽  
Zeolite Lattice ◽  
Adsorption Sites ◽  
Localized Adsorption ◽  
5A Zeolite ◽  
Equilibrium Data ◽  
Reported Data ◽  
And Diffusion ◽  
Sorbate Concentration

Kinetic and equilibrium data for sorption of n-heptane in 5A zeolite are presented and discussed in relation to previously reported data for the C2–C4 hydrocarbons in the same zeolite.A satisfactory interpretation of the equilibrium data is obtained on the basis of a simple theoretical model in which it is assumed that there are, within each cavity of the zeolite lattice, two distinct and energetically different adsorption sites. These sites may correspond to the region close to the cavity wall in which adsorption is energetically favorable, giving rise to localized adsorption, and the central region of the cavity in which the sorbate is less strongly bound with greater rotational and translational freedom. The differential diffusivity increases strongly with sorbate concentration and, as with the lighter hydrocarbons, the form of this concentration dependence may be satisfactorily explained by considering the driving force for the transport process to be the gradient of chemical potential. The limiting diffusional activation energy for n-heptane is 7.5 kcal and this value is somewhat higher than the activation energy for the lighter paraffins.

A LATTICE STATISTICS MODEL DERIVED FROM THE TWO-LAYER ADSORPTION PROBLEM

1965 ◽  
Vol 43 (6) ◽  
pp. 980-985
Author(s):  
D. D. Betts ◽  
D. L. Hunter
Keyword(s):  
Nearest Neighbor ◽  
Chemical Potential ◽  
Physical Adsorption ◽  
Square Lattice ◽  
Lateral Interaction ◽  
Lattice Statistics ◽  
Regular Lattice ◽  
Adsorption Sites ◽  
Layer Adsorption ◽  
Gas Molecules

A model is proposed for the physical adsorption of two layers of gas molecules at the sites of a regular lattice with lateral interaction between nearest-neighbor molecules. The model is more complicated than the two-dimensional Ising model. However, for a particular relation among the three energy parameters and at a particular value of the chemical potential the model simplifies considerably. For the simplified model and a square lattice of adsorption sites, high- and low-temperature series expansions for the specific heat have been obtained and the transition temperature estimated.

Enhanced Removal of Mercury and Lead by a Novel and Efficient Surface-functionalized Imogolite with Nanoscale Zero-valent Iron Material

2021 ◽  
Author(s):  
Estefanía Martinis ◽  
Juliano Denardin ◽  
Raul Calderón Raul Calderón ◽  
Cristóbal Flores ◽  
Karen Manquián-Cerda ◽  
...  
Keyword(s):  
Multicomponent System ◽  
Kinetic Studies ◽  
Zero Valent Iron ◽  
Hybrid Nanomaterial ◽  
Adsorption Sites ◽  
Transmission Electron ◽  
Nanoscale Zero Valent Iron ◽  
Equilibrium Data ◽  
Softness Parameter ◽  
Chemical Procedure

Abstract A novel hybrid nanomaterial, nanoscale zero-valent iron (nZVI)-grafted imogolite nanotubes (Imo), was synthesized via a fast and straightforward chemical procedure. The as-obtained nanomaterial (Imo-nZVI) was characterized using transmission electron microscopy (TEM), electrophoretic mobility (EM) and vibrating sample magnetometry (VSM). The prepared Imo-nZVI was superparamagnetic at room temperature and could be easily separated by an external magnetic field. Sorption batch experiments were performed in single- and multicomponent system and showed that Hg2+ and Pb2+ could be quantitatively adsorbed at pH 4.0 with maximum adsorption capacities of 62.3 and 73.8 mg·g− 1, respectively. It was observed that the functional groups in Imo-nZVI interact preferentially with analytes according to Misono Softness parameter. The higher performance of Imo-nZVI compared with Imo and nZVI is related to the increased adsorption sites in the functionalized nanomaterial. The sorption equilibrium data obeyed the Langmuir model, while kinetic studies demonstrated that the sorption processes of Hg2+ and Pb2+ followed the pseudo-second-order model. This study suggests that the Imo-nZVI composite can be used as a promising sorbent and provides a simple and fast separation method for the removal of Hg and Pb ions from contaminated water.

Preparation of Graphene Oxide Modified Rice Husk for Cr(VI) Removal

2019 ◽  
Vol 19 (11) ◽  
pp. 7035-7043 ◽  
Author(s):  
Tong Ouyang ◽  
Jidan Tang ◽  
Fang Liu ◽  
Chang-Tang Chang
Keyword(s):  
Graphene Oxide ◽  
Adsorption Capacity ◽  
Rice Husk ◽  
Maximum Adsorption Capacity ◽  
Order Kinetic ◽  
Adsorption Sites ◽  
Equilibrium Data ◽  
Order Kinetic Model ◽  
Alkaline Conditions ◽  
Rice Husk Biochar

The objective of this paper is to study the removal of Cr(VI) in aqueous solution by using a new graphene oxide-coated rice husk biochar composite (GO-RHB). GO-RHB is a synthetic material having a porous structure with lots of oxygen-containing functional groups and a large surface area that provide effective adsorption sites. Experiments showed that GO-RHB had higher adsorption capacity under acidic than under alkaline conditions. At pH of 2, GO-RHB has the maximum adsorption capacity(48.8 mg g−1). Equilibrium data obtained by fitting with the Langmuir and Freundlich models indicate that the reaction process was monolayer adsorption. The adsorption of Cr(VI) followed the pseudo-second-order kinetic model that illustrates chemical adsorption. Intraparticlediffusion studies further revealed that film diffusion was taking place. Moreover, the results of thermodynamics showed that the adsorption process was endothermic and spontaneous in nature. The removal mechanism of Cr(VI) was also explained in detail. The prepared adsorbent is highly efficient and might be useful than many other conventional adsorbent used for the removal of Cr(VI) from wastewater.

Ab Initio Studies of Nb Doping Effect on the Formation and Diffusion of Oxygen Vacancy and Ti Interstitial in Rutile TiO2

2011 ◽  
Vol 304 ◽  
pp. 142-147 ◽  
Author(s):  
Xu Wang ◽  
Fu He Wang
Keyword(s):  
Activation Energy ◽  
Oxygen Vacancy ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Formation Energy ◽  
Suppressive Effect ◽  
Nb Doping ◽  
O Vacancy ◽  
And Migration ◽  
And Diffusion

The effect of Nb doping on the formation and diffusion of O vacancies and interstitial Ti in rutile TiO2 are studied by the use of ab initio density-functional calculations. Our calculation showed that the activation energy for the diffusion of O vacancy with Nb doping is higher than that of pure. That owing to suppressive effect of Nb doping on the formation of O vacancy. Different from the effect of Nb doping on O vacancy, both of the formation energy and migration barrier of interstitial Ti increase with the Nb doping. Our calculated results may be one of the reasons why Nb doping can improve oxidation resistance of γ-TiAl.

scholarly journals A unifying basis for the interplay of stress and chemical processes in the Earth: support from diverse experiments

2020 ◽  
Vol 175 (12) ◽  
Author(s):  
John Wheeler
Keyword(s):  
Chemical Potential ◽  
Chemical Processes ◽  
Phase Changes ◽  
Solid State Reactions ◽  
Fundamental Aspect ◽  
Diffusion Creep ◽  
Pressure Solution ◽  
Polymorphic Transformations ◽  
The Earth ◽  
And Diffusion

AbstractThe interplay between stress and chemical processes is a fundamental aspect of how rocks evolve, relevant for understanding fracturing due to metamorphic volume change, deformation by pressure solution and diffusion creep, and the effects of stress on mineral reactions in crust and mantle. There is no agreed microscale theory for how stress and chemistry interact, so here I review support from eight different types of the experiment for a relationship between stress and chemistry which is specific to individual interfaces: (chemical potential) = (Helmholtz free energy) + (normal stress at interface) × (molar volume). The experiments encompass temperatures from -100 to 1300 degrees C and pressures from 1 bar to 1.8 GPa. The equation applies to boundaries with fluid and to incoherent solid–solid boundaries. It is broadly in accord with experiments that describe the behaviours of free and stressed crystal faces next to solutions, that document flow laws for pressure solution and diffusion creep, that address polymorphic transformations under stress, and that investigate volume changes in solid-state reactions. The accord is not in all cases quantitative, but the equation is still used to assist the explanation. An implication is that the chemical potential varies depending on the interface, so there is no unique driving force for reaction in stressed systems. Instead, the overall evolution will be determined by combinations of reaction pathways and kinetic factors. The equation described here should be a foundation for grain-scale models, which are a prerequisite for predicting larger scale Earth behaviour when stress and chemical processes interact. It is relevant for all depths in the Earth from the uppermost crust (pressure solution in basin compaction, creep on faults), reactive fluid flow systems (serpentinisation), the deeper crust (orogenic metamorphism), the upper mantle (diffusion creep), the transition zone (phase changes in stressed subducting slabs) to the lower mantle and core mantle boundary (diffusion creep).

Application of a diffusion–desorption rate equation model in astrochemistry

2014 ◽  
Vol 168 ◽  
pp. 517-532 ◽  
Author(s):  
Jiao He ◽  
Gianfranco Vidali
Keyword(s):  
Rate Equation ◽  
Equation Model ◽  
Experimental Investigations ◽  
Desorption Rate ◽  
Desorption Energy ◽  
Energy Distributions ◽  
Rate Equation Model ◽  
Adsorption Sites ◽  
Adsorption Desorption ◽  
And Diffusion

Desorption and diffusion are two of the most important processes on interstellar grain surfaces; knowledge of them is critical for the understanding of chemical reaction networks in the interstellar medium (ISM). However, a lack of information on desorption and diffusion is preventing further progress in astrochemistry. To obtain desorption energy distributions of molecules from the surfaces of ISM-related materials, one usually carries out adsorption–desorption temperature programmed desorption (TPD) experiments, and uses rate equation models to extract desorption energy distributions. However, the often-used rate equation models fail to adequately take into account diffusion processes and thus are only valid in situations where adsorption is strongly localized. As adsorption–desorption experiments show that adsorbate molecules tend to occupy deep adsorption sites before occupying shallow ones, a diffusion process must be involved. Thus, it is necessary to include a diffusion term in the model that takes into account the morphology of the surface as obtained from analyses of TPD experiments. We take the experimental data of CO desorption from the MgO(100) surface and of D2 desorption from amorphous solid water ice as examples to show how a diffusion–desorption rate equation model explains the redistribution of adsorbate molecules among different adsorption sites. We extract distributions of desorption energies and diffusion energy barriers from TPD profiles. These examples are contrasted with a system where adsorption is strongly localized – HD from an amorphous silicate surface. Suggestions for experimental investigations are provided.

Hydrogen Diffusion in Boron Doped Diamond: Evidence of Hydrogen-Boron Interactions

1998 ◽  
Vol 510 ◽  
Author(s):  
J. Chevallier ◽  
B. Theys ◽  
C. Grattepain ◽  
A. Deneuville ◽  
E. Gheeraert
Keyword(s):  
Activation Energy ◽  
Boron Concentration ◽  
Hydrogen Diffusion ◽  
Diffusion Activation Energy ◽  
Boron Doped Diamond ◽  
Boron Doped ◽  
Hydrogen Ionization ◽  
Diffusion Temperature ◽  
And Diffusion ◽  
Diffusion Activation

AbstractDeuterium diffusion has been investigated in boron doped diamond as a function of the diffusion temperature and the boron concentration. The results show that, up to 480°C, hydrogen diffusion is limited by the boron concentration with a diffusion activation energy of 0.35 eV for [B] = 5×1019 cm−3. This first experimental evidence of deuterium-boron interactions in diamond is interpreted as the result of hydrogen ionization and diffusion of fairly mobile protons which form pairs with negatively charged boron acceptors

Computer Simulation of Xe adsorption in Zeolite Y

1996 ◽  
Vol 431 ◽  
Author(s):  
Vishwas Gupta ◽  
H. Ted Davis ◽  
Alon V. McCormick
Keyword(s):  
Crystal Structure ◽  
Computer Simulation ◽  
Computer Modeling ◽  
Potential Field ◽  
Molecular Level ◽  
Zeolite Y ◽  
Strong Link ◽  
Adsorption Sites ◽  
Commercially Important ◽  
And Diffusion

AbstractComputer modeling of fluids in zeolites can provide a detailed molecular level understanding of the process of adsorption and diffusion under the influence of the 3-D potential field and the confinement offered by the crystal structure. We have shown that there is a strong link between the location, geometry and energetics of sites and the observed thermodynamics and spectroscopy of the adsorbates. Here we report on the modeling of Xe in zeolite Y, which is of interest both because it is commercially important and because it offers two distinct adsorption sites.

Nitridation Isothermal Kinetics of In Situ β-Sialon Bonded Al2O3-C Refractories

2016 ◽  
Vol 697 ◽  
pp. 572-575
Author(s):  
Xue Qing Yang ◽  
Nai Peng ◽  
Cheng Ji Deng
Keyword(s):  
Activation Energy ◽  
Apparent Activation Energy ◽  
Isothermal Kinetics ◽  
Nitridation Reaction ◽  
Result Show ◽  
Different Temperatures ◽  
Two Stages ◽  
Kinetics Of ◽  
And Diffusion

The kinetics of in-situ β- Sialon bonded Al2O3-C (SAC) refractories were investigated by TGA techniques via isothermal nitridation experiments at different temperatures. The result show that the nitridation process of in-situ β-Sialon bonded Al2O3-C refractories can be divided into two stages: the nitridation reaction rate controlling stage in the first 10 min, and the apparent activation energy of nitridation reaction is 370 kJ/mol ; then the reaction is controlled by both chemical reaction and diffusion rate in the following 110 min, the apparent activation energy of nitridation reaction is 410 kJ/mol.

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