Rapid decomposition of methane hydrates induced by terahertz bidirectional pulse electric fields
Y Liang, X Bi, Y Zhao, R Tian, P Zhao, W Fang, B Liu - Energy, 2024 - Elsevier
Electric field improving hydrates decomposition has broad applications in methane
extraction and transportation, which benefits from polarization of water molecular and …
extraction and transportation, which benefits from polarization of water molecular and …
Computational evaluation of RHO-ZIFs for CO2 capture: From adsorption mechanism to swing adsorption separation
RHO zeolitic imidazolate frameworks (ZIF) are promising materials regarding chemical
stabilities and CO 2 capture capacities. However, their CO 2 adsorption, separation …
stabilities and CO 2 capture capacities. However, their CO 2 adsorption, separation …
Molecular dynamics predictions of transport properties for carbon dioxide hydrates under pre-nucleation conditions using TIP4P/Ice water and EPM2, TraPPE, and …
Introduction: New technologies that leverage gas hydrates phenomena include carbon
capture and sequestrations. These processes are often semi-continuous and require …
capture and sequestrations. These processes are often semi-continuous and require …
Atomistic-geometric simulations to investigate the mechanical stability of monocrystalline sI methane hydrates under pressure
Gas hydrate mechanical stability under pressure is critically important in energy supply,
global warming, and carbon-neutral technologies. The stability of these polyhedral guest …
global warming, and carbon-neutral technologies. The stability of these polyhedral guest …
Molecular insights into the synergistic inhibition mechanisms of antifreeze protein and methanol on carbon dioxide hydrate growth
The formation of CO 2 hydrates during CO 2 transportation and deep-sea injection poses a
significant risk of pipeline blockage. Combining kinetic (KHIs) and thermodynamic hydrate …
significant risk of pipeline blockage. Combining kinetic (KHIs) and thermodynamic hydrate …
Molecular insights into the wettability of antifreeze protein-adsorbed hydrate surface: Application to hydrate anti-agglomeration
Y Zhang, Z Chen, C Yuan, J Sun, C Chen… - Chemical Engineering …, 2024 - Elsevier
Adding kinetic inhibitors (KIs) to prevent hydrate formation or anti-agglomerate agents (AAs)
adsorbed on hydrate crystals to suppress particle aggregation are both effective means to …
adsorbed on hydrate crystals to suppress particle aggregation are both effective means to …
On the compatibility of the Madrid-2019 force field for electrolytes with the TIP4P/Ice water model
The Madrid-2019 force field was recently developed to perform simulations of electrolytes in
water. The model was specifically parameterized for TIP4P/2005 water and uses scaled …
water. The model was specifically parameterized for TIP4P/2005 water and uses scaled …
Laboratory Studies of the Clathrate Hydrate Formation in the Carbon Dioxide-Water Mixtures at Interstellar Conditions
A Tychengulova, K Katpayeva, S Shomshekova… - ACS …, 2024 - ACS Publications
This study investigates the formation of carbon dioxide clathrate hydrates under conditions
simulating interstellar environments, a process of significant astrophysical and industrial …
simulating interstellar environments, a process of significant astrophysical and industrial …
DFT-continuum characterization of third-order elasticity of sI methane hydrates under pressure
Methane gas hydrates (GHs) are polyhedral crystalline guest-host materials found under
high pressure and low-temperature conditions, which can serve as an energy source …
high pressure and low-temperature conditions, which can serve as an energy source …
In silico identification of D449-0032 compound as a putative SARS-CoV-2 Mpro inhibitor
GS Philippsen, FAV Seixas - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
The SARS-CoV-2 pandemic originated the urgency in developing therapeutic resources for
the treatment of COVID-19. Despite the current availability of vaccines and some antivirals …
the treatment of COVID-19. Despite the current availability of vaccines and some antivirals …