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The large amounts of natural gas in a dense solid phase stored in the confined environment of porous materials have become a new, potential method for storing and transporting natural gas. However, there is no experimental evidence to accurately determine the phase state of water during nanoscale gas hydrate dissociation. The results on the dissociation behavior of methane hydrates confined in a nanosilica gel and the contained water phase state during hydrate dissociation at temperatures below the ice point and under atmospheric pressure are presented. Fourier transform infrared spectroscopy (FTIR) and powder X-ray diffraction (PXRD) were used to trace the dissociation of confined methane hydrate synthesized from pore water confined inside the nanosilica gel. The characterization of the confined methane hydrate was also analyzed by PXRD. It was found that the confined methane hydrates dissociated into ultra viscous low-density liquid water (LDL) and methane gas. The results showed that the mechanism of confined methane hydrate dissociation at temperatures below the ice point depended on the phase state of water during hydrate dissociation.
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http://dx.doi.org/10.3390/nano11030590 | DOI Listing |
J Am Chem Soc
September 2025
Laboratory of Inorganic Synthesis and Catalysis (LSCI), Institute of Chemical Sciences and Engineering, École Polytechnique Fédéralede Lausanne (EPFL), Lausanne 1015, Switzerland.
The challenge to produce multicarbon (C) products in high current densities in the electrochemical reduction of carbon dioxide (CORR) has motivated intense research. However, the ability of solvated cations to tune and activate water for C production in the CORR has been overlooked. In this study, we report the incorporation of a covalently grown layer of functionalized phenyl groups on the Cu surface that leads to a 7-fold increase in ethylene production (to -530 mA cm) and a 6-fold increase in C products (to -760 mA cm).
View Article and Find Full Text PDFJ Phys Chem B
August 2025
Institute of Refrigeration and Cryogenics, Shanghai Jiao Tong University, Shanghai 200240, China.
Semiclathrate tetrabutylammonium bromide (TBAB) hydrate can incorporate gas CO to form CO + TBAB double hydrate, which is an ideal gas and energy storage material due to its high energy density and favorable phase change conditions for refrigeration applications. In this study, the dissociation behaviors and underlying mechanism of this CO + TBAB double hydrate at the microscale for energy release are studied through molecular dynamic simulations under thermal-driven conditions (283 K-301 K). The results indicate that two distinct hydrate cages (CO 5 cages and TBAB semiclathrate cages) decompose in a stepwise manner during dissociation and exhibit distinct features.
View Article and Find Full Text PDFEnergy Fuels
August 2025
Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain.
In this work, we determine the dissociation temperature of hydrogen (H) hydrate by computer simulation using two different methods. In both cases, the molecules of water and H are modeled using the TIP4P/Ice and a modified version of the Silvera and Goldman models, respectively, and the Berthelot combining rule for the cross water-H interactions has been modified. The first method used in this work is the solubility method, which consists of determining the solubility of H in an aqueous phase when in contact with the H hydrate (H-L) phase and when in contact with the pure H phase (L-L ) at different temperatures.
View Article and Find Full Text PDFJ Colloid Interface Sci
August 2025
Pacific Northwest National Lab, Physical and Computational Sciences Directorate, Richland, WA 99354, United States. Electronic address:
Nanoengineered metal oxides such as Cr(III)-oxide (chromia) films have diverse potential applications in corrosion inhibition, remediation, energy generation, catalysis, data storage, and biological and environmental systems. Concerns about material degradation or oxidation to toxic chromate necessitate an understanding of chromia/aqueous interfaces, beginning with their hydroxylation and hydration behavior. Vibrational sum-frequency generation spectroscopy (vSFG) provides specific molecular-level information about water at the oxide/aqueous junction with high surface selectivity.
View Article and Find Full Text PDFJ Environ Manage
September 2025
LEPABE - Laboratory for Process Engineering, Environment, Biotechnology and Energy, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465, Porto, Portugal; ALiCE - Associate Laboratory in Chemical Engineering, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias,
While renewable energy sources are expected to lead decarbonisation efforts in the power sector, carbon capture and storage (CCS) is a viable solution to address remaining fossil emissions for the foreseeable future. Emerging technologies aim to improve the performance of traditional absorption systems at low concentrations. AirPure uses a micro-mixing device to produce CO hydrates offering promising opportunities for efficient CO capture and transport under mild conditions.
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