A nonlinear regression optimization procedure (Levenberg-Marquardt, MATLAB 7) has been used for minimizing the difference between the
chemical potential of C[O.sub.2] in the gas phase and the polymer phase, and also between the experimental and predicted solubilities using the interaction parameter, [k.sub.12].
At finite temperature and
chemical potential, Vija and Thoma [35] have extended the effective perturbation theory for gauge theories at finite temperature and
chemical potential for studying the collisional energy loss of heavy quarks in QGP.
In order to predict miscibility, from standard thermodynamics, information on the
chemical potential of the mixture components is needed as a function of system variables (temperature, pressure, etc).
Schvellinger, "Thermalization with a
chemical potential from AdS spaces," Journal of High Energy Physics, vol.
Then, combining Fujita's model with Paul and Maeda's model, a new model is developed so that the diffusion coefficients of sc-C[O.sub.2] in polymer can be estimated from the specific volume of polymer/C[O.sub.2] mixture, the occupied specific volume of the mixture and
chemical potential of C[O.sub.2] in the mixture.
The QGP phase so far has been fairly described using Lattice Gauge theory in case of vanishing or low baryon
chemical potential. However, the description of strongly interacting hadronic phase in terms of fundamental theory of strong interactions has proven to be far from being trivial.
Quantum chemical parameters for synthesized molecules (2a, b) such as the energy of the highest occupied molecular orbital (EHOMO), the energy of the lowest unoccupied molecular orbital (ELUMO), HOMO-LUMO energy gap (IE), chemical hardness (), softness (I), electronegativity (X),
chemical potential (u), dipole moment (DM), global electrophilicity (I), sum of the total negative charge (TNC) and sum of electronic and zero-point energies (SEZPE) for gas and solvent phase of neutral molecules were calculated and discussed.
He also said hydrogen used with fuel cells-a device that converts
chemical potential energy into electrical energy-is promising for trucks, rail and ships, as well as industrial applications which require both electricity and heat.
"Despite the fact that the OPCW has repeatedly confirmed the complete destruction of Syria's military
chemical potential under international control, a row of accusations and threats were again brought down to Damascus in connection with its supposed intention to use chemical agents in the province of Idlib," the Russian foreign ministry representative added.
Experimentally obtained physical and spectroscopic properties will be presented and validated by theoretical parameters related to the molecular reactivities (such as, electrophilicity, nucleophilicity,
chemical potential, and hardness), which are obtained by quantum chemical computations using DFT approximations.