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- Qi, Yingxia, et al. Show all 5 Authors
- Energy 2016 v.102 pp. 252-259
- chemical elements; laminar flow; mathematical models; molecular dynamics; temperature; viscosity
- ... The past researches on the gas leakage through the clearance seal were studied mainly by the analytical model or numerical simulations using CFD method based on the classical fluid mechanics theory in the conditions of steady laminar flow, incompressible, constant temperature, constant viscosity, and no relative sliding between the inner and outer wall. However, it is widely known that the CFD the ...
- Qi, Yingxia, et al. Show all 3 Authors
- Energy conversion and management 2011 v.52 no.7 pp. 2682-2687
- cages; carbon dioxide; crystals; dissociation; gases; hydrogen bonding; melting; methane; models; molecular dynamics; spectroscopy
- ... Molecular dynamics simulations are used to study the mechanism of guest replacement of CH₄ hydrate with CO₂. The well-known OPLS-AA and TIP4P potential models are used for the interactions between guest–guest and water–water species, respectively. The simulations are performed on a combination of 4×4×4 unit cell replica of fully-occupied structure I hydrate and CO₂ gas phase. The simulation result ...