Can I read Molecular Dynamics Simulation Studies on the Stability and Dissociation of Clathrate Hydrates of Single and Double Greenhouse Gases on EtoBox?
Molecular Dynamics Simulation Studies on the Stability and Dissociation of Clathrate Hydrates of Single and Double Greenhouse Gases by Saeid Sinehbaghizadeh; Agus Saptoro; Sepideh Amjad-Iranagh; Angnes Ngieng Tze Tiong; Amir H. Mohammadi is a Engineering article available to read on EtoBox.
What is Molecular Dynamics Simulation Studies on the Stability and Dissociation of Clathrate Hydrates of Single and Double Greenhouse Gases about?
Comprehending and controlling the stability and dissociation of greenhouse gases hydrates are critical for a variety of hydrate-based industrial applications, such as greenhouse gas separation, sequestration, or utilization. Although the promotion effects of greenhouse F-gases (F-promoters) and new cyclic promoters on CO 2 hydrates have been acknowledged, the involved molecular mechanisms are poorly understood. This work was therefore conducted to investigate the intermolecular mechanisms of the properties of CO 2 and NF 3 hydrates using molecular dynamics (MD) simulation to better understand their stability and dissociation and the effects of thermodynamic conditions as well as cage occupancy. In addition, the stability of CO 2 /CO 2 + CH 4 hydrates in the presence of seven thermodynamic hydrate promoters (THPs) from different molecular groups or substituents was evaluated. Results reveal that after the breakup of the hydrate, the propensity of NF 3 to form nanobubbles is more than that of CO 2 molecules. The relative concentration distribution of partially occupied hydrates was also found to be greater than that of completely filled by guest gases. MD simulation results of CO 2 d
Who reads Molecular Dynamics Simulation Studies on the Stability and Dissociation of Clathrate Hydrates of Single and Double Greenhouse Gases?
It is typically read by researchers, students, and practitioners in Engineering.
- Author
- Saeid Sinehbaghizadeh; Agus Saptoro; Sepideh Amjad-Iranagh; Angnes Ngieng Tze Tiong; Amir H. Mohammadi
- Publisher
- American Chemical Society (ACS)
- Published
- 2022
- Language
- EN
- Field
- Engineering (Physical Sciences)