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Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2024, 卷号: 396, 页码: 9
作者:
Zhu, Bojin
;
Yang, Menglong
;
Yan, Youguo
;
Zhong, Jie
;
Li, Jiawei
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2024/04/07
W/O emulsions
Water content
Asphaltene polar adsorption
Viscosity mechanism
MD simulations
Long-Term Fertilization Contributes to Carbon Saturation in Neutral-To-Alkaline Soils but not in Acidic Soils
期刊论文
COMMUNICATIONS IN SOIL SCIENCE AND PLANT ANALYSIS, 2024, 页码: 12
作者:
Zhou, Shiwei
;
Lv, Yanchao
;
Song, Zhizhong
;
Bi, Xiaoli
;
Meng, Ling
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/02/23
Canonical correlation analysis (CCA)
carbon (C) saturation
dissolved organic carbon (DOC)
maximum adsorption capacity (q(max))
organic fertilization
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:
Tan, Yongkang
;
Tao, Xiaoma
;
Ouyang, Yifang
;
Peng Q(彭庆)
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/02/05
Irida-graphene
Hydrogen storage
Titanium decoration
First-principles calculation
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
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)
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  |  
浏览/下载:2/0
  |  
提交时间:2024/02/05
shale
pore size distribution
molecular simulation
low-temperature nitrogen adsorption
Engineering an antifouling electrochemical aptasensor based on a designed zwitterionic peptide for tetracycline detection in milk
期刊论文
FOOD CONTROL, 2023, 卷号: 153, 页码: 12
作者:
Li, Yonghui
;
Pu, Xujun
;
Niu, Meirong
;
Fan, Xuejing
;
Ding, Yangyue
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2023/12/13
Antifouling
Zwitterionic peptide
Electrochemical aptasensor
Tetracycline
Food safety
Activated dissociation of H
2
on the Cu(001) surface: The role of quantum tunneling
期刊论文
CHINESE PHYSICS B, 2023, 卷号: 32
作者:
Yu, Xiaofan
;
Tong, Yangwu
;
Yang, Yong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2023/11/10
H-2
Cu(001)
dissociation
quantum tunneling
density functional theory (DFT)
transfer matrix method
Microstructures and Pore Structures of Naturally Deformed Shales: Significance for Shale Gas Exploration in the Complex Tectonic Areas of the Margin of the Sichuan Basin, South China
期刊论文
ENERGY & FUELS, 2023, 卷号: 37, 期号: 14, 页码: 10414-10425
作者:
Zeng, Lu
;
Zhu, Hongjian
;
Hao, Yuexiang
;
Shi, Erxiu
;
Lu, Yanjun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2023/11/16
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/01/08
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation
期刊论文
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:19/0
  |  
提交时间:2022/11/21
Adsorption
Potential energy
Self -diffusion coefficient
Molecular dynamics
An emb e dde d-atom method potential for studying the properties of Fe-Pb solid-liquid interface
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Lei, Yawei
;
Zhang, Jingdan
;
Zhang, Yange
;
Li, Xiangyan
;
Xu, Yichun
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Fe-Pb system
Force -matching method
EAM potential
Corrosion
Liquid properties
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