A5021995184- Methane Hydrates and Related Phenomena
- Atmospheric and Environmental Gas Dynamics
- Hydrocarbon exploration and reservoir analysis
- Spacecraft and Cryogenic Technologies
- CO2 Sequestration and Geologic Interactions
- Arctic and Antarctic ice dynamics
- Coal Properties and Utilization
- NMR spectroscopy and applications
- X-ray Diffraction in Crystallography
- Advanced Algorithms and Applications
- Geology and Paleoclimatology Research
- Aeolian processes and effects
- Structural Response to Dynamic Loads
- Crystallization and Solubility Studies
- Ocean Acidification Effects and Responses
- Fungal Plant Pathogen Control
- Composite Material Mechanics
- Offshore Engineering and Technologies
- Remote Sensing and Land Use
- Environmental and Agricultural Sciences
- Neurosurgical Procedures and Complications
- Petroleum Processing and Analysis
- Environmental Changes in China
- Synthesis and biological activity
- nanoparticles nucleation surface interactions
Laoshan Laboratory
2023-2025
Qingdao National Laboratory for Marine Science and Technology
2020-2024
Qingdao Institute of Marine Geology
2023-2024
Ministry of Natural Resources
2023-2024
Zhengzhou University
2023
Chinese Academy of Sciences
2008-2022
Northwest Institute of Eco-Environment and Resources
2022
Henan University of Science and Technology
2022
University of Calgary
2018-2019
Institute of Geology and Geophysics
2015-2019
Gas hydrate and corrosion inhibitors are widely used to ensure a successful economic hydrocarbon stream flow inside oil gas pipelines. However, compatibility problems observed during their co-injection into the flowlines as they have different molecular chemistry. Using anti-agglomerant is an effective method control plugging risk in deep-water lines or throughout drilling operations. Here, oleic acid was develop first class of biosurfactants using click chemistry for assurance applications....
Methane hydrate with a high degree of crystallinity structure I directly forms<italic>via</italic>high-precision constant energy MD simulations.
Nucleation of multicomponent systems is a pervasive phenomenon in nature and pertinent to diverse array scientific industrial challenges. The nucleation mechanisms immiscible remain unclear. Here, gas hydrate employed as model system study the systems. effect gas/liquid solid/liquid interfaces on examined through molecular dynamics simulations. results demonstrate that hydrates tend nucleate solution phase proximity interface at lower temperatures, which controlled by mass transfer. As...
With an exception for its critical nucleus size, the more thermostat and barostat are used, faster methane hydrate nucleates lower crystallinity is.
By investigating the aqueous solution properties of several hydrate guests with molecular simulations, we find that increasing guest concentration, guest's hydration shell becomes more ordered and system entropy decreases. A common critical value self-diffusion coefficient different molecules is identified, below which hydrates will nucleate very readily.
H2 is considered as the ideal fuel; however, storage and transportation of limit its usage. Clathrate hydrates are candidate materials for transportation. Because extreme conditions necessary to stabilize pure hydrate, additives proposed a mixed hydrate. Compared widely studied + tetrahydrofuran binary hydrates, CH4 contain higher energy density. In this study, we study growth two sets temperature pressure by using molecular dynamics simulations with atomic models. Our results show that acts...
The NVE simulations realize the ice shrinking when methane hydrate nucleates both heterogeneously and homogeneously.
Crystallization in liquids is critical to a range of important processes occurring physics, chemistry and life sciences. In this article, we review our efforts towards understanding the crystallization mechanisms, where focus on theoretical modelling molecular simulations applied ice gas hydrate systems. We discuss order parameters used characterize ordering how different offer perspectives underlying mechanisms crystallization. With extensive water systems, have revealed unexpected...
The commercial use of natural methane hydrate is hampered by several open questions that remain regarding formation. Here the authors comment on past interpretations and aim to provide a roadmap for developing predictive theory nucleation.
By performing molecular dynamic simulations, we study the methane adsorption on rough graphite surfaces prepared by rotating (0001) face with different tilt angles from 0° to 90°. It is found that surface angle of 90° much weaker than surface, and density profiles region show irregular shapes peaks compared common regular peak surface. With increasing 90°, average increases first, then decreases, shows a maximum value at 5°. These observations could be explained qualitatively two controlling...
Clathrate hydrate nucleation in heterogeneous systems, such as the water-in-oil emulsions found pipeline environments, is of considerable technological importance and scientific interest. While there has been a number experimental studies investigating emulsions, have essentially no molecular simulations to provide important insights into process. Here, we report extensive dynamics gas examine behavior water nanodroplets immersed non-aqueous liquid, probing key factors impacting nucleation,...
Multicomponent crystals, for which natural gas hydrates are important examples, have drawn considerable attention because of their scientific and industrial importance. By performing large-scale molecular dynamics simulations on hydrate nucleation several common gases (CH4, C2H6, C3H8, H2S) mixtures, we aim to elucidate the roles molecules compositions mixed nucleation. We find that at a fixed temperature solution composition, induction time (τ) sequence pure guest is τ(C2H6) < τ(C3H8)...
Despite the potential broad utility of nanoparticles in hydrate-related fields, there remains a paucity studies on impacts gas hydrate formation. In this study, massive microsecond molecular dynamics simulations were performed to investigate roles calcite formation processes methane hydrate. Our results indicate that prefer be water phase close water/gas interface. They inhibit nucleation because layer bound with thickness 0.75 nm forms around each nanoparticle which an extremely low...
Clathrate hydrate-based seawater desalination has the potential to be a low-energy, environmentally friendly technique. However, underlying hydrate growth and ion fractionation mechanism remains unclear. Hence, systematic molecular dynamics simulations were conducted investigate carbon dioxide process in presence of salt. We find that slows with increasing solution salinity, number ions bound structure is related rate salinity. Ions can replace water molecules at vertex cages, which been...
Crystallization is relevant to many disciplines, and the control of crystallization molecules importance a great range technological applications. It has been well established that variety surfaces can serve as possible nucleation sites for heterogeneous crystallization. However, it still unknown what features such system may be crucial whether just single molecule might site Therefore, probe this question, we have investigated prototypical multicomponent crystal, clathrate hydrates. As...
The broad scientific and technological importance of crystallization has led to significant research probing rationalizing crystal nucleation processes. Previous work generally neglected the possibility molecular-level dynamics individual nuclei coupling local structures. However, recent experimental conjectured that this can occur. Therefore, address a deficiency in understanding crystallization, we have probed prototypical single multicomponent crystals (specifically, ice mixed gas...