Thermal flow in an aircraft wing leading-edge anti-icing system is a complicated physical phenomenon and remains a challenging research topic of modeling and analysis. This paper presents a complete three-dimensional simulation of a wing segment including the piccolo-type thermal anti-icing bays inside the leading edge is presented. The Navier–Stokes analysis has been conducted for the integrat...

Flow inside the isolator of a scramjet engine is likely to be in thermal non-equilibrium due to successive shock-based compressions and expansions. Given the short flow-through timescales in such engines, the flow might not reach equilibrium even in the fuel injection region. Since the distribution of energy in the internal modes affects chemical reactions, non-equilibrium has been shown to hav...

The isotropic-nematic (I-N) phase transition in hard ellipsoid fluids has been studied by computer simulation, using the Gibbs-Duhem integration technique introduced by Kofke; and theoretically, using Onsager theory and the Parsons-Lee improvement. In the simulations, the I-N coexistence line is mapped out in the P -x plane, where P is the pressure and x is the elongation, by numerically integr...

The relative free energies of binding of trypsin to two amine inhibitors, benzamidine (BZD) and benzylamine (BZA), were calculated using non-Boltzmann thermodynamic integration (NBTI). Comparison of the simulations with the crystal structures of both complexes, trypsin-BZD and trypsin-BZA, shows that NBTI simulations better sample conformational space relative to thermodynamic integration (TI) ...

Recent studies of amorphous solid materials have revealed the possibility that more than one distinct amorphous phase may be formed from the same substance. In analogy with the phenomenon of crystalline polymorphism, this behavior has been termed “amorphous polymorphism”. We review the experimental manifestation of amorphous polymorphism, especially in tetrahedrally coordinated materials such a...

In recent years, lots of research has been done on effective usage of natural gas; the first step in these processes is conversion of natural gas to Syngas. Natural gas reforming process by refomer furnace is commonly used for syngas and hydrogen production. In this paper, a windows based software, RIPI-RefSim, is introduced. By using proper heat, mass, kinetic and thermodynamic models as w...

The urea reactor is one of the most important units in the urea synthesis process. Rigorous simulation of the urea reactor is necessary and significant. Ho,wever, the complicated thermodynamic system and chemical reactions result in difficulties of modeling and simulation. In this work, the urea reactor is considered as a critical gas-liquid concurrent fluid reactor, in which some perforated pl...

The performance of 23 World Climate Research Programme (WCRP) Coupled Model Intercomparison Project, phase 3 (CMIP3) models in the simulation of the Indian Ocean dipole (IOD) is evaluated, and the results show large diversity in the simulated IOD intensity. A detailed diagnosis is carried out to understand the role of the Bjerknes dynamic air–sea feedback and the thermodynamic air–sea coupling ...