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Molecular Simulation of Nitrogen Adsorption in Multidimensional Nanopores and New Insights into the Inversion of Pore Size Distribution for Gas Shale
期刊论文
OAI收割
ENERGIES, 2023, 卷号: 16, 期号: 24, 页码: 20
作者:
Chen Z(陈卓)
;
Lin M(林缅)
;
Jiang WB(江文滨)
;
Cao GH(曹高辉)
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2024/02/05
shale
pore size distribution
molecular simulation
low-temperature nitrogen adsorption
Rhizosphere environmental factors regulated the cadmium adsorption by vermicompost: Influence of pH and low-molecular-weight organic acids
期刊论文
OAI收割
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2023, 卷号: 266, 页码: 11
作者:
Pan, Pan
;
Liu, Huizhan
;
Liu, Ang
;
Zhang, Xinchun
;
Chen, Qingmian
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/12/07
Vermicompost
Cadmium
PH
Low-molecular-weight organic acid
Adsorption characteristics
Water adsorption and diffusion in phosphoric acid-based geopolymer using molecular modeling
期刊论文
OAI收割
JOURNAL OF SOLID STATE CHEMISTRY, 2023, 卷号: 320, 期号: -, 页码: -
作者:
Hu, Haixiang
;
Huang, Kangqiao
;
Zhou, Wei
;
Liu, Xinghong
;
Chang, Xiaolin
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/08/02
Phosphoric acid -based geopolymer (PABG)
Water adsorption and diffusion
Diffusion exponent
Macromolecular model
Molecular dynamics (MD) simulation
Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation
期刊论文
OAI收割
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 卷号: 655, 页码: 10
作者:
Luo,Yongcheng
;
Xiao,Hanmin
;
Liu,Xiangui
;
Zheng TY(郑太毅)
  |  
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2022/11/21
Adsorption
Potential energy
Self -diffusion coefficient
Molecular dynamics
Molecular dynamics simulations of ovalbumin adsorption at squalene/ water interface
期刊论文
OAI收割
CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2022, 卷号: 50, 页码: 369-378
作者:
Xiong, Qingxia
;
Ren, Ying
;
Xia, Yufei
;
Ma, Guanghui
;
Noda, Reiji
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/02/24
Molecular dynamics simulation
Metadynamics
Protein adsorption
Structural stability
Ovalbumin
Synergistic effects of CO2 density and salinity on the wetting behavior of formation water on sandstone surfaces: Molecular dynamics simulation
期刊论文
OAI收割
JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING, 2022, 卷号: 105
作者:
Yu, Tao
;
Li, Qi
;
Li, Xiaochun
;
Hu, Haixiang
;
Tan, Yongsheng
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2023/08/02
CO2 geological sequestration
Wettability
Cohesive energy density
Adsorption energy
Molecular dynamics simulation
Adsorption mechanism of a new combined collector (PS-1) on unburned carbon in gasification slag
期刊论文
OAI收割
SCIENCE OF THE TOTAL ENVIRONMENT, 2022, 卷号: 818, 页码: 9
作者:
Shi, Da
;
Zhang, Jianbo
;
Hou, Xinjuan
;
Li, Shaopeng
;
Li, Huiquan
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/02/24
Gasification slag
Flotation
Adsorption mechanism
Molecular dynamics simulation
Waste utilization
Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
期刊论文
OAI收割
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554
作者:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
矿物表面分子分馏对可溶性有机质生物可降解性的影响
学位论文
OAI收割
北京: 中国科学院大学;中国科学院生态环境研究中心, 2021
作者:
李雁娜
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/06/15
可溶性有机质,微生物降解,矿物,选择性吸附,分子分馏
dom, Biodegradation, Mineral, Selective Adsorption, Molecular Fractionation
Interfacial Molecular Fractionation Induces Preferential Protection of Biorefractory Organic Matter by Ferrihydrite
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2021, 卷号: 5, 期号: 5, 页码: 1094-1101
作者:
Li, Yanna
;
Lv, Jitao
;
Cao, Dong
;
Zhang, Shuzhen
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/12/22
DOM
biodegradation
molecular fractionation
selective adsorption
mineral