A5100433132- Methane Hydrates and Related Phenomena
- Spacecraft and Cryogenic Technologies
- Hydrocarbon exploration and reservoir analysis
- CO2 Sequestration and Geologic Interactions
- Supramolecular Chemistry and Complexes
- Avian ecology and behavior
- Arctic and Antarctic ice dynamics
- Ecology and Vegetation Dynamics Studies
- Ocean Acidification Effects and Responses
- Rangeland Management and Livestock Ecology
- Hydrology and Watershed Management Studies
- Groundwater and Isotope Geochemistry
- Plant and animal studies
- Astro and Planetary Science
- Graphene and Nanomaterials Applications
- Environmental and Agricultural Sciences
- Rangeland and Wildlife Management
- Genetic and phenotypic traits in livestock
- Membrane Separation Technologies
- Soil erosion and sediment transport
- Plant Water Relations and Carbon Dynamics
- Hemoglobin structure and function
- Molecular Spectroscopy and Structure
- Optical and Acousto-Optic Technologies
- Graphene research and applications
China University of Petroleum, East China
2007-2024
China Geological Survey
2013-2021
Inner Mongolia Agricultural University
2019
Institute of Grassland Research
2019
Xi'an University of Technology
2016
Hebei University of Technology
2015
China University of Petroleum, Beijing
2006
Developing membranes with excellent mechanical strength and chemical stability is a practically important issue for efficient removal of pollutants from wastewater.
Tetrahydrofuran (THF) is well known as a former and promoter of clathrate hydrates, but the molecular mechanism for formation these compounds not yet understood. We performed ab initio calculations dynamics simulations to investigate formation, structure, stability THF·(H2O)n=1–10 its significance THF hydrate. Weak hydrogen bonds were found between water molecules, could promote molecules from planar pentagonal or hexagonal ring. As promoter, increase binding ability CH4, CO2, H2 molecule...
Density functional theory calculations have been carried out to survey the gas-phase reactions of allylamine with Co+. The geometries and bonding characteristics all stationary points involved in investigated at B3LYP/6-311++G(d,p) level. Final energies are obtained by means B3LYP/6-311+G(2df,2pd) single-point calculations. performance these theoretical methods is valuated respect available thermochemical data. Co+ strongly binds forming a chelated structure which metal cation concomitantly...
Natural gas hydrates (NGH) are widely found in seafloor sediments. In engineering, it is usually necessary to inject 60% of thermodynamic inhibitors, which makes hydrate extraction costly and polluting. Currently, kinetic inhibitors have attracted much attention due their low injection dose environmental friendliness, but the research time-consuming. this study, we investigated interaction between winter flounder antifreeze proteins (AFPs) methane growth using molecular dynamics simulations....
Abstract Based on the space group theory, normal vibrational modes of Sr 3 TaGa Si 2 O 14 (STGS) single crystal were predicted, and Raman scattering intensities non‐polar polar calculated. The lattice vibration STGS studied by density functional theory (DFT) using Dmol3 module in Material Studio program package. A SiO 12 cluster was constructed, its frequencies calculated GAUSSIAN98 quantum chemistry suite. Excellent agreement has been achieved between prediction spectroscopy experiment...