相关实验视频

Updated: Jun 5, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.6K

弥合分子模拟和异质表面的表面复杂化建模之间的差距:对矿物质的和吸附的案例研究

Pengyuan Gao1,2, Xiandong Liu1,2, Zhijun Guo3,4

  • 1State Key Laboratory for Mineral Deposits Research, School of Earth Sciences and Engineering, Nanjing University, Nanjing, Jiangsu 210023, P. R. China.

Environmental science & technology
|December 10, 2024
PubMed
概括

粘土矿物质具有复杂的表面反应性. 这项研究使用分子动力学来揭示 (U-VI) 和 (As-V) 如何与粘土表面结合,改进了污染物预测模型.

关键词:
亚是一种.这是一个CIS-VACANT.粘土的粘土,就是粘土.第一个原则分子动力学分子动力学这是一种蒙特莫里隆石 (Montmorillonite).表面复杂化建模的模型.是一种.

更多相关视频

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.7K
Removal of Arsenic Using a Cationic Polymer Gel Impregnated with Iron Hydroxide08:01

Removal of Arsenic Using a Cationic Polymer Gel Impregnated with Iron Hydroxide

Published on: June 28, 2019

7.5K

相关概念视频

Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
444