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Computer modeling of thermotransport in a uniform binary liquid solution with equimolar n-alkane mixtures
期刊论文
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 11, 页码: 10
作者:
Zhong, Jun
;
Xu, Shenghua
收藏
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浏览/下载:0/0
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提交时间:2023/12/18
Atomic-level analysis of migration and transformation of organic sodium in high-alkali coal pyrolysis using reactive molecular dynamics simulations
期刊论文
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2023, 卷号: 11, 期号: 3, 页码: 110189
作者:
Sun C(孙岑)
;
Zhu, Aixue
;
Xu, Tong
;
Wei XL(魏小林)
;
Hong, Dikun
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  |  
浏览/下载:18/0
  |  
提交时间:2023/09/05
Inherent organic sodium
ReaxFF
Pyrolysis
Molecular simulation
Py-GC/MS
Non-equilibrium flow of van der Waals fluids in nano-channels
期刊论文
PHYSICS OF FLUIDS, 5, 2023, 卷号: 35, 页码: 52004
作者:
Shan, Baochao
;
Ju, Long
;
Su, Wei
;
Guo, Zhaoli
;
Zhang YH(张勇豪)
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  |  
浏览/下载:9/0
  |  
提交时间:2023/07/17
A spectroscopic approach to identifying the out-of-plane conformations of Ni(II) meso-tetraphenylporphyrin in solution
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2022, 卷号: 1269
作者:
Wang, Shenhao
;
Huang, Qing
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浏览/下载:16/0
  |  
提交时间:2022/12/23
NiTPP
Out-of-plane deformations
DFT
Molecular dynamics
Raman spectroscopy
1 H-NMR
Towards fully ab initio simulation of atmospheric aerosol nucleation
期刊论文
NATURE COMMUNICATIONS, 2022, 卷号: 13
作者:
Jiang, Shuai
;
Liu, Yi-Rong
;
Huang, Teng
;
Feng, Ya-Juan
;
Wang, Chun-Yu
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浏览/下载:24/0
  |  
提交时间:2022/12/23
First-principles study on the design of metal-decorated N-doped γ-graphyne as a high capacity CH4adsorbent
期刊论文
Journal of Applied Physics, 2022, 卷号: 132, 期号: 6
作者:
Zhao, Qiuyu
;
Ju, Jiaming
;
Chen, Yuhong
;
Xu, Wenhui
;
Zhao, Yingjie
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浏览/下载:18/0
  |  
提交时间:2022/09/22
Adsorption
Atoms
Binding energy
Carbon nitride
Chemical bonds
Doping (additives)
Electric fields
Substrates
Titanium
Adsorption energies
Charged substrates
First-principle study
Graphyne
High capacity
Inter-molecular forces
N-doped
Negative charge
Negatively charged
Ti atoms
Effect of external electric field on ultraviolet-induced nanoparticle colloid jet machining
期刊论文
Nanotechnology, 2022, 卷号: 33, 期号: 21
作者:
Song, Xiaozong
;
Ge, Shundong
;
Niu, Yanjiang
;
Yan, Dengwei
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浏览/下载:18/0
  |  
提交时间:2022/04/21
Electric fields
Fourier transform infrared spectroscopy
Photocatalytic activity
Polishing
Scanning electron microscopy
Silicon
Silicon carbide
Surface roughness
Titanium dioxide
X ray photoelectron spectroscopy
Electric field enhanced ultraviolet-induced nanoparticle colloid jet machining
External electric field
Jet machining
Material removal efficiency
Nanoparticle colloids
Photocatalytic activities
Polishing slurries
TiO2 nano-particles
Ultra smooth surface
Workpiece
Unravelling the genetic and functional diversity of dominant bacterial communities involved in manure co-composting bioremediation of complex crude oil waste sludge
期刊论文
HELIYON, 2022, 卷号: 8, 期号: 2, 页码: 15
作者:
Ubani, Onyedikachi
;
Atagana, Harrison I.
;
Selvarajan, Ramganesh
;
Ogola, Henry J. O.
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  |  
浏览/下载:3/0
  |  
提交时间:2022/05/07
Animal manure
Bioremediation
Bacterial diversity
Co-compost
Catechol 2,3-dioxygenase
Phase behaviors of ionic liquids attributed to the dual ionic and organic nature
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601
作者:
Tang, Chenyu
;
Wang, Yanting
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浏览/下载:5/0
  |  
提交时间:2023/01/16
MOLECULAR-DYNAMICS SIMULATION
COARSE-GRAINED MODELS
AB-INITIO DATA
FORCE-FIELD
NANOSTRUCTURAL ORGANIZATION
SPATIAL HETEROGENEITY
BENZENE MIXTURES
TAIL AGGREGATION
CAR-PARRINELLO
CONFINED WATER
Molecular Dynamics Simulation of the Soret Effect on Two Binary Liquid Solutions with Equimolar n-Alkane Mixtures
期刊论文
ACS OMEGA, 2021, 页码: 10
作者:
Zhong, Jun
;
Zhao, Renbao
;
欧阳文泽
;
Xu SH(徐升华)
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浏览/下载:40/0
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提交时间:2022/02/17
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