Adsorption energy distribution in activated carbon from grand canonical Monte Carlo calculation

Calleja G; Coto B; Morales-Cas AM

首页> 外文期刊>Applied Surface Science >Adsorption energy distribution in activated carbon from grand canonical Monte Carlo calculation

【24h】

Adsorption energy distribution in activated carbon from grand canonical Monte Carlo calculation

机译：大正则蒙特卡洛计算法计算活性炭中的吸附能分布

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The adsorption energy heterogeneity was studied by simulation using the Grand Canonical Monte Carlo method and the slit pore geometry. Nitrogen adsorption was simulated at 77 K in pore sizes ranging from 0.46 to 2.06 nm. The microscopic description of the adsorption phenomena is shown in terms of the density profile and the energy distribution function.

机译：吸附能的非均质性是通过使用Grand Canonical Monte Carlo方法和狭缝孔几何学模拟进行研究的。氮吸附是在77 K下模拟的，孔径范围为0.46至2.06 nm。吸附现象的微观描述以密度分布和能量分布函数表示。

著录项

来源
《Applied Surface Science》 |2006年第12期|p. 4345-4352|共8页
作者
Calleja G; Coto B; Morales-Cas AM;
展开▼
作者单位

Rey Juan Carlos Univ, Dept Chem & Environm Technol, ECET, Madrid 28933, Spain;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类应用物理学;
关键词
nitrogen adsorption isotherms; molecular simulation; activated carbon; energy distribution function; energetic heterogeneity; MOLECULAR SIMULATION; COMPUTER-SIMULATION; PORE VOLUME;

机译：氮吸附等温线分子模拟活性炭能量分布函数高能异质性分子模拟计算机模拟孔体积;

相似文献

外文文献
中文文献
专利

1. A SELF-CONSISTENT METHOD FOR CHARACTERIZATION OF ACTIVATED CARBONS USING SUPERCRITICAL ADSORPTION AND GRAND CANONICAL MONTE CARLO SIMULATIONS [J] . Gusev VY., Seaton NA., Obrien JA. Langmuir: The ACS Journal of Surfaces and Colloids . 1997,第10期

机译：超临界吸附和大经典蒙特卡洛模拟表征活性炭的自洽方法
2. Grand Potential,Helmholtz Free Energy,and Entropy Calculation in Heterogeneous Cylindrical Pores by the Grand Canonical Monte Carlo Simulation Method [J] . Joel Puibasset The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2005,第1期

机译：大正则蒙特卡罗模拟方法计算非均质圆柱孔中的大势，亥姆霍兹自由能和熵
3. Testing isotherm models and recovering empirical relationships for adsorption in microporous carbons using virtual carbon models and grand canonical Monte Carlo simulations [J] . Terzyk AP, Furmaniak S, Gauden PA, Journal of Physics. Condensed Matter . 2008,第38期

机译：使用虚拟碳模型和经典的蒙特卡洛模拟测试等温模型并恢复微孔碳吸附的经验关系
4. The study of adsorption xenon in activated carbon fibers by grand canonical Monte Carlo simulation [C] . J.Y. Deng, H. Li, X.H. Wang, 2003 International conference on carbon . 2003

机译：大经典蒙特卡洛模拟研究活性炭纤维中氙的吸附。
5. A Grand Canonical Monte Carlo Simulation Model for Phase Behavior of Confined Hydrocarbons [D] . Coskuner, Yakup Berk 2018

机译：受限烃相行为的经典范式蒙特卡洛模拟模型
6. Screening metal-organic frameworks for adsorption-driven osmotic heat engines via grand canonical Monte Carlo simulations and machine learning [O] . Rui Long, Xiaoxiao Xia, Yanan Zhao, 2021

机译：通过Grand Canonical Monte Carlo模拟和机器学习筛选用于吸附驱动渗透热发动机的金属有机框架
7. Molecular investigation of gas adsorption, separation, and transport on carbon nanoscrolls: A combined grand canonical Monte Carlo and molecular dynamics study [O] . Haoyan Sha, Shenli Zhang, Roland Faller 2018

机译：气体吸附，分离和运输对碳纳米罩的分子调查：一个组合的大规范蒙特卡罗和分子动力学研究
8. Monte Carlo Calculations of Reaction Rates and Energy Distributions Among Reaction Products:Reactions of HF and DF with H-and D-Atoms. [R] . wilkins,roger l. 1974

机译：蒙特卡罗反应产物中反应速率和能量分布的计算：HF和DF与H-和D-原子的反应。

Adsorption energy distribution in activated carbon from grand canonical Monte Carlo calculation

摘要

著录项

相似文献

相关主题

期刊订阅