In this work, we have studied the solvent effects on values of Gibbs free energy, enthalpy. entropy and dipolemoment in spread of solvents around anticancer thug of temreolomide that is an alighting agent. For thispurpose, the quantum mechanic calculations bawd on Hanrertnick theory at the STO-36/3-2Ith levels havebeen done. Moreover, we have compared resulted thermodynamic values in gas phase ...

Using Gaussian 03, software the thermodynamic functions such as Gibbs free energy, G, Enthalpy, H, and Entropy, S, of Alanine and Valine amino acids were theoretically studied at different solvents. First, the Density Functional Theory (B3LYP) level with 3-21G, 6-31G and 6-31+G basis sets were employed to optimization of isolated Alanine and Valine amino acids in the gas phase. Moreover, Vib...

the analytical theory of one dimensional, dispersion free miscible displacement of oil by injection gas with nc component has shown that: the mmp is the lowest pressure at which any one of the initial oil, injection gas or crossover key tie lines becomes critical, which means that its length approaches to zero. in this paper, we propose a method for a solving multi component system based on ana...

Gas hydrate model and free gas model are established, and two-phase theory (TPT) for numerical simulation of elastic wave velocity is adopted to investigate the unconsolidated deep-water sedimentary strata in Shenhu area, South China Sea. The relationships between compression wave (P wave) velocity and gas hydrate saturation, free gas saturation, and sediment porosity at site SH2 are studied, r...

The LINER galaxy NGC 2639 contains a water vapor megamaser, suggesting the presence of an edge-on nuclear accretion disk or torus. This galaxy is thus a good candidate for revealing absorption by the torus of any compact nuclear continuum emission. In this paper, we report VLBA radio maps at three frequencies and an ASCA X-ray spectrum obtained to search for free-free and photoelectric absorpti...

Experimental measurements of elastic neutron scattering from U resonances were used to benchmark neutron scattering models in Monte Carlo transport codes. It was found that the implementation of the free gas model to determine the scattered neutron energy and angle in popular Monte Carlo codes is inaccurate. Differences up to a factor of two in the energy dependent angular distribution were obs...

In the computational fluid dynamics (CFD) modeling of gas-solids two phase flow, the effect of boundary conditions play an important role in predicting the hydrodynamic characteristics of fluidized beds. In this work, the hydrodynamics of conical fluidized bed containing dried TiO2 nano-agglomerates were studied both experimentally and computationally. The pressure drop ...

The thermodynamic functions such as enthalpy (H), Gibbs free energy (G) and entropy (S) of Serineand Threonine amino acids were theoretically studied at different condition (solvents andtemperatures) by using Gussian o3, software. First, the structural optimization of isolated Serine andThreonine were done in the gas phase by using the Hartree-Fock (HF) level of theory with 3-21G, 6-31G and 6-3...

The thermodynamic functions such as enthalpy, H°, Gibbs free energy, G°, and entropy, S°, of Arginine and Lysine amino acids were theoretically studied at different polar solvents by using ²Gaussian o3², software. First, the structural optimization of isolated Arginine and Lysine were done in the gas phase by applying the Density Functional Theory (B3LYP) level ...

Gas-hydrates are crystalline form of water and methane that form at high pressure and low temperature. They have attracted the global attention due to their wide-spread occurrences in the permafrost and outer continental margins; potential as major energy resources; role in climate change etc. It is estimated that the carbon in gas-hydrates is two times the carbon content in fossil fuel reserve...