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171.
On the modelling of solid state reactions.Synthesis of YAG 总被引:2,自引:0,他引:2
Feliksas?Ivanauskas Aivaras?Kareiva Bogdanas?LapcunEmail author 《Journal of mathematical chemistry》2005,37(4):365-376
There is a model of yttrium aluminium garnet (YAG) synthesis presented in this article. The developed model is based on nonlinear reaction–diffusion partial differential equations. The solution was carried out numerically using finite difference techniques. We got dependability curves for diffusion and reaction rates and offered possible method to localize values of diffusion and reaction rate constants precisely enough.AMS subject classification: 35K57, 65M06 相似文献
172.
IntroductionCatal}ticrcactionsaffcctcdb}'diffosionaIlimitationincatal}'stporcshavcbccnextensive1}dcaltx`ithinlit.rat.rcll~5I.Scvcraltcchniqucsonthcspccialcase0fFischcr-Tropschs}'nthcsis(FTS)t\crcapplicdtocxplorcthebchaviorofthiscatal}ticrcactionundercxpcrimcntalandopcrationaIconditionsI3~5l.It`"ouldbeofvaluctoindicatchcrcthatthcseinvcstigationsx"ercmainl}'bascdonthesimplcstkineticsofthcfirstordcrinH2proposedbyAndersonl6]attheearIystages.However-thesetboents,striCtlyspeaking,areinvalidfor… 相似文献
173.
Jayshree Ramkumar 《Talanta》2007,71(3):1054-1060
The single ion transport of transition metal ions like Cu2+, Co2+, Ni2+ and Zn2+ were carried out through the H+ and alkali metal ion forms of Nafion membrane. These studies showed that the ion exchange selectivity coefficient of the permeating ion had an effect on its transport process. It was found that the diffusion coefficient values (D) were directly proportional to the selectivity coefficient (K). This shows that the initial stage of permeation is governed by ion exchange process (effect of K on D). 相似文献
174.
Multiparticle fractal aggregation 总被引:1,自引:0,他引:1
Richard F. Voss 《Journal of statistical physics》1984,36(5-6):861-872
Kinetic fractal aggregation in a particle bath where a fractionf of the sites are initially occupied is studied withd=2 computer simulations. Independent particles diffusing to a fixed cluster produce an aggregate with fractal dimensionD 1.7 up to a correlation length(f). At larger lengthsD2.(f) asf 0. When the particles remain fixed but the cluster undergoes a rigid random walkD appears constant at larger scales but varies withf. D 1.95 at largef andD 1.7 asf 0. In both cases, the aggregate sizeN(t) grows with timet
(f)
. Aggregation on a surface by independently diffusing particles produces shapes reminiscent of electrochemical dendritic growth. The dependence of growth rate and geometry is studied as a function of particle concentration and sticking probability. 相似文献
175.
Several features of the trapping of random walks on a one-dimensional lattice are analyzed. The results of this investigation are as follows: (1) The correction term to the known asymptotic form for the survival probability ton steps is O((
2n)–1/3), where =–ln(1–c), andc is the trap concentration. (2) The short time form for the survival probability is found to be exp[–a(c)n
1/2], wherea(c) is given in Eq. (21). (3) The mean-square displacement of a surviving random walker is found to go liken
2/3for largen. (4) When the distribution of trap-free regions is changed so that very large regions are much rarer than for ideally random trap placement the asymptotic survival probability changes its dependence onn. One such model is studied. 相似文献
176.
W. Yang H. Inoue T.Y. Chow H. Samura T. Saegusa 《Journal of Sol-Gel Science and Technology》1998,11(1):117-124
Au particles dispersed thin metal oxide films were prepared from precursor films containing HAuCl4 with H2S gas diffusion method. HAuCl4 was uniformly dissolved in the films as promoted by hydroxypropyl cellulose (HPC). The mechanism of the Au particle formation was studied. It was found that HAuCl4 was converted directly to Au metal particles upon contacting with H2S gas. Au particles generated by this method were characterized with small particle size, sharp size distribution and high volume fraction in the films. The surface plasma resonance absorption of Au particles shifted to longer wavelength when TiO2 component was introduced in the matrix. 相似文献
177.
Xinbo Zhang Danzi Sun Wenya Yin Yujun Chai Minshou Zhao 《Journal of Solid State Electrochemistry》2006,10(4):236-242
This paper presents results concerning structure and electrochemical characteristics of the La0.67Mg0.33 (Ni0.8Co0.1Mn0.1)
x
(x=2.5–5.0) alloy. It can be found from the result of the Rietveld analyses that the structures of the alloys change obviously
with increasing x from 2.5 to 5.0. The main phase of the alloys with x=2.5–3.5 is LaMg2Ni9 phase with a PuNi3-type rhombohedral structure, but the main phase of the alloys with x=4.0–5.0 is LaNi5phase with a CaCu5-type hexagonal structure. Furthermore, the phase ratio, lattice parameter and cell volume of the LaMg2Ni9phase and the LaNi5 phase change with increasing x. The electrochemical studies show that the maximum discharge capacity increases from 214.7 mAh/g
(x=2.5) to 391.1 mAh/g (x=3.5) and then decreases to 238.5 mAh/g (x=5.0). As the discharge current density is 1,200 mA/g, the high rate dischargeability (HRD) increases from 51.1% (x=2.5) to 83.7% (x=3.5) and then decreases to 71.6% (x=5.0). Moreover, the exchange current density (I
0) of the alloy electrodes first increases and then decrease with increasing x from 2.5 to 5.0, which is consistent with the variation of the HRD. The cell volume reduces with increasing x in the alloys, which is detrimental to hydrogen diffusion and accordingly decreases the low-temperature dischargeability
of the alloy electrodes. 相似文献
178.
采用分子动力学模拟(MD)方法对甲醇和乙醇在超临界二氧化碳中的无限稀释扩散系数进行了模拟计算, 并应用泰勒分散理论, 采用超临界色谱仪对模拟结果进行了实验验证. 模拟计算值与实验值较吻合, 且变化规律基本一致, 表明采用这种新方法可以准确有效地预测超临界体系的扩散性质, 能够方便地应用于工程设计. 相似文献
179.
Top layers of γ-Al2O3 composite membranes have been modified by the silane coupling technique using phenyltriethoxysilane for improving the separation factor of CO2 to N2. The separation efficiency of the modified membranes was strongly dependent upon the hydroxylation tendency of the support materials and the amount of the special functional group (i.e. phenyl radical) which was coupled onto a top layer. The separation factor through the TiO2 supported γ-Al2O3 membrane was found to be fairly enhanced by silane coupling, but in case of the -Al2O3 supported membrane was not. The CO2/N2 separation factor through the modified γ-Al2O3/TiO2 composite membrane is 1.7 at 90°C and ΔP = 2 × 105 Pa for the binary mixture containing 50 vol% CO2. The separation factor is proportional to the CO2 concentration in the gas mixture, and the modified membrane is stable up to 100°C. The main mechanism of the CO2 transport through the modified γ-Al2O3 layer is known to be a surface diffusion. 相似文献
180.
氢分子在金属表面的解离吸附与氢原子在金属体相的扩散是个典型的表面过程.前者在甲烷化及合成氨等基础化工反应中起着关键作用;后者常常导致金属材料的脆化与断裂,但过渡金属及其合金是安全和优良的储氢材料.因此,研究氢分子在金属表面的解离吸附与氢原子在金属体相的扩散,是多相催化与金属物理广泛感兴趣的课题,具有重要的理论和应用价值.本文采用分子动力学方法初步探讨了二者之间的关联.分子催化动力学为从微观层次上研究上述课题提供了一种理论方法.本文采用经过我们改进的半经验LEPS方法,计算了氢分子在Pd(100)和(110)晶面的解离和氢原子在钯表面与体相扩散的相互作用位能面,并根据计算结果探讨了其微观机理. 相似文献