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Adsorption kinetics and thermodynamic properties of a binary mixture of hard-core particles on a square lattice

机译:在方形格子上的硬核颗粒二元混合物的吸附动力学和热力学性质

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The adsorption kinetics and thermodynamic properties of a binary mixture on a square lattice are studied using the random sequential adsorption with surface diffusion (RSAD). We compare the adsorption of binary species with different equilibrium rate constants and effective rates of adsorption to a surface and find that the temporal evolution of surface coverages of both species can be obtained through the use of the blocking function of a system with irreversible adsorption of highly diffusive particles. Binary mixtures, when one of the components follows the random sequential adsorption (RSA) without surface diffusion and the other follows the RSAD model, display competitive adsorption in addition to cooperative phenomena. Specifically, (i) species replacement occurs over a long period of time, while the total coverage remains unchanged after a short time, (ii) the presence of the RSAD component shifts the jamming coverage to the higher values, and (iii) the maximum jamming coverage is obtained when the effective adsorption of the RSA type components is lower than the other adsorbing particles.
机译:采用表面扩散随机顺序吸附法(RSAD)研究了二元混合物在正方形晶格上的吸附动力学和热力学性质。我们比较了具有不同平衡速率常数和有效吸附速率的二元物种对表面的吸附,发现两种物种的表面覆盖率的时间演化可以通过使用具有高扩散粒子不可逆吸附的系统的阻塞函数来获得。当一种组分遵循无表面扩散的随机顺序吸附(RSA)模型,另一种组分遵循RSAD模型时,二元混合物除了合作现象外,还表现出竞争吸附。具体而言,(i)物种替换在长时间内发生,而总覆盖率在短时间后保持不变,(ii)RSAD组件的存在将干扰覆盖率转移到更高的值,以及(iii)当RSA类型组件的有效吸附低于其他吸附颗粒时,获得最大干扰覆盖率。

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