On the modification of solid adsorbents with volatile organics II. The role of the layer adsorbed

Summary This paper presents a continuation of our research dedicated to solid-adsorbent surface modification with what are commonly regarded as volatile and easily eluted organic compounds. Two porous adsorbents were used: natural zeolite (clinoptilolite) and alumina, while the adsorbates employed were n-hepatane and benzene. The results show that a simple injection of volatile adsorbate greatly alters the solid surface adsorption properties. The consequences of volatile modifier application are discussed on the grounds of adsorption isotherms determined at 313K. Possible implications to the tailor made adsorbents are outlined as well.Part I, J. Chromatogr.442, 105 (1988)     

Model studies of the chemisorption of hydrogen and oxygen on nickel surfaces

Atomic chemisorption of hydrogen and oxygen on the Ni(100) surface has been studied using an Effective Core Potential (ECP) approach described in a previous paper. Clusters of up to 50 nickel atoms have been used to model the surface. The computed chemisorption energies are 62 kcal/mol (exp. 63 kcal/mol) for hydrogen and 106 kcal/mol (exp. 115–130 kcal/mol) for oxygen. Correlating the adsorbate and the cluster-adsorbate bonds is extremely important for obtaining accceptable results, particularly for oxygen. Reasonable convergence of chemisorption energies is obtained with 40–50 cluster atoms for both hydrogen and oxygen. For hydrogen the addition of a third cluster layer stabilizes the results considerably. Both hydrogen and oxygen are adsorbed at (or close to) the four-fold hollow site. The calculated barriers for surface migration are also in good agreement with the experimental estimates. The calculated equilibrium heights above the surface are on the other hand too high compared with experiments. This disagreement is believed to be due to core-valence correlation effects, which are not incorporated in the present ECP. The cluster convergence for the height above the surface is much slower than for the chemisorption energy.     

Prediction of adsorption of organic component and water vapour mixture onto activated carbon

A simple isotherm equation is derived for the adsorption of an organic component onto activated carbon in presence of water vapour. The theoretical results are compared with experimental data for toluene-water vapour-activated carbon, which were published byRipperger andGermerdonk [10].

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Vorhersage der Adsorption einer organischen Komponente und Wasserdampf an Aktivkohle

Zusammenfassung Es wird eine einfache Adsorptionsisotherme abgeleitet, welche die gleichzeitige Adsorption eines organischen Stoffes und Wasser an Aktivkohle beschreibt. Die theoretischen Ergebnisse werden mit experimentellen Resultaten vonRipperger undGermerdonk [10] für Toluol-Wasser-Aktivkohle verglichen.

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Symbols a _i adsorbate concentration in adsorbent, kg/kg of carbon - a _0i monolayer capacity, kg/kg of carbon - b _i kinetic parameter of theLangmuir equation - E _j adsorption energy in thej-th layer - i i-th component (1 — water vapour, 2 — organic compound) - j j-th layer - m number of layers - n number of adsorbed components - p partial pressure, Pa - p* saturation partial pressure, Pa - p _C water vapour partial pressure at begining of capillary condensation, Pa - surface coverage     

Experimental investigation on the flame front resistance of gas channel growth with melt formation in iron ore sinter beds

The resistance of the flame front within the solid bed constitutes a fundamental and crucial area in porous bed combustion as the flame front propagation is highly related to the productivity and product quality. This paper focuses on the iron ore sintering, a thermal agglomeration process in steel mills. The results from a detailed experimental study of the pilot-scale pot tests under the conditions of a wide range of fuel rate are presented. The primary objective is to provide better understanding of the growth of gas channels relating to melt formation in the flame front and its resistance to flow. The sintering bed was divided into several zones based on the temperature profile and component distribution. Even though there is a continuous one-to-one replacement of humidified zone with porous sintered zone, a constant air flow rate during sintering could be obtained, indicating the ～100?mm high-temperature zone has a controlling effect on sintering bed permeability. The specific pressure drop value in high-temperature zone increases from ～3?kPa in upper bed to ～7?kPa in bottom bed, which varies with the bed temperature and structure properties. Both the green bed and sintered bed were scanned by X-ray computed tomography, the reconstruction and image analysis showed that the sintered bed has large gas channels and many more closed pores due to solid-melt-gas coalescence. More melt is generated when the heat is accumulated along the bed or input higher coke content, showing a propensity to suppress the gas channel growth and amplify the mismatch of gas transportation along the bed. Higher coke rate leads to a higher resistance in flame front, resulting in a slower flame front speed. These results are aimed to provide quantitative validation for improvements of a numerical sintering model in a future work.     

硫原子在镍基合金825(001)面吸附的第一性原理研究

元素硫在镍基合金表面吸附产生严重的电化学腐蚀,为从原子尺度研究硫腐蚀机理,采用第一性原理方法,构建并优化了镍基合金825的晶胞结构模型,计算分析了S原子在镍基合金825耐蚀性较差面(001)晶面的吸附及电子转移情况.结果表明:Ni原子占据顶角, Cr原子和Fe原子对称占据面心是镍基合金825稳定的晶胞结构;原子S在镍基合金825(001)面上最稳定的吸附位为四重穴位,吸附能为-6.51 eV; S吸附前后的态密度(DOS)和二维电荷差分密度图(DCD)对比发现,镍基合金825中Fe与S之间电荷偏移明显,形成离子键,易生成腐蚀产物Fe_xS_y. S的吸附对镍基合金825中Cr原子的电子分布影响不大,且合金中Cr和Ni抑制了合金中Fe与S之间的相互作用,从而提高了合金耐蚀性.     

Preparation of Corn Stalk-Walnut Shell Mix-based Activated Carbon and Its Adsorption of Malachite Green

The mix-based activated carbon derived from corn stalk and walnut shell was prepared by chemical activation method using phosphoric acid as the activator. The optimized conditions for preparation were obtained by the orthogonal experiment, the characterizations of the activated carbon were performed by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy(FTIR), Boehm's titration method and nitrogen adsorption. For the prepared mix-based activated carbon, the highest iodine number, methylene blue number and BET surface area are 720.5 mg/g, 195.0 mg/g and 1187 m²/g, respectively, and the pores are mainly mesopores. The mix-based activated carbon shows the higher adsorption capacity for malachite green than the raw materials, the activated carbons prepared only from corn stalk or walnut shell and the commercial activated carbon. The kinetics and thermodynamics of the adsorption can be satisfactorily described by the pseudo-second-order kinetic model and the Langmuir isotherm model, separately.     

Particle mixing rates using the two-fluid model

In this work, a new methodology is introduced to calculate the solids mixing rate in dense gas-fluidized beds using the two-fluid model. The implementation of this methodology into an existing two-fluid model code was carefully verified. The solids phase continuity equation was satisfied using our method, and the sensitivity of the computational results to the time step, computational cell size, and discretization scheme was investigated to determine the optimal simulation settings. Using these simulation settings, the degree of solids mixing was observed to rapidly (exponentially) increase with increasing operating pressure and linearly decrease with increasing bed diameter. Our novel methodology can be applied to analyze mixing processes in large lab-scale beds as an alternative to existing time-consuming simulation techniques such as computational fluid dynamics combined with the discrete element model.     

CFETR水冷包层两元混合增殖球床流动特性研究

作为中国聚变工程实验堆(CFETR)候选包层之一的水冷包层(WCCB),拟采用不同尺寸的两元混合增殖球床以增加球床的填充率,从而满足氚增殖比(TBR)要求。采用离散元方法(DEM)建立了满足中子学要求的CFETR水冷包层两元球床填充结构,通过CFD计算分析获取了氦气在球床颗粒间隙之间的流动特性,包括孔隙率分布、速度分布和压降等。     

A solids mixing rate correlation for small scale fluidized beds

A new first degree solids mixing rate is proposed to evaluate the mixing of solids in small scale fluidized beds. Particle mixing experiments were carried out in a 2D fluidized bed with a cross-section of 0.02 m × 0.2 m and a height of 1 m. White and black particles with average diameters of 850 and 450 μm were used in our experiments. Image processing was used to measure the concentration of the tracers at different times. The effects of four representative operating parameters (superficial gas velocity, ratio of tracer particles to bed particles, tracer particle position, and particle size) on mixing are discussed with reference to the mixing index. We found that the Lacey index depends on the concentration of the tracers. The position of the tracers affects the initial mixing rate but not the final degree of mixing. However, the new mixing rate equation does not depend on the initial configuration of the particles because this situation is considered to be the initial condition. Using the data obtained in this work and that found in literature, an empirical correlation is proposed to evaluate the mixing rate constant as a function of dimensionless numbers (Archimedes, Reynolds, and Froude) in small scale fluidized beds. This correlation allows for an estimation of the mixing rate under different operating conditions and for the detection of the end point and/or the time of mixing.     

Grand canonical Monte Carlo simulation of isotherm for hydrogen adsorption on nanoporous siliceous zeolites at room temperature

Zeolites belong to a most prominent class of nanoporous materials which have been considered as potential sorbents for hydrogen storage. The adsorption of hydrogen molecules on purely siliceous zeolites such as ACO, MEP, ASV, ANA, RWY, and RHO, which encompass a range of different pore structures and their chemical compositions has been simulated employing Grand Canonical Monte Carlo (GCMC) procedure for a temperature range of 250-325 K, and a pressure range of 0-10 kbar. The effects of pore structure of zeolites, temperature and pressure on the hydrogen adsorption has been examined. The results clearly show that the number of adsorbed hydrogen molecules at high pressure, only depends on pore diameter, and the temperature effect on the adsorption decreases with decrease in the number of adsorbed of hydrogen molecules.