the combined effect of hydrostatic pressure and temperature on correlation energy in a triplet state of two electron spherical quantum dot with square well potential is computed. the result is presented taking gaas dot as an example. our result shows the correlation energies are i)negative in the triplet state contrast to the singlet state ii) it increases with increase in pressure  iii)further...

the michelsen stability and multiphase flash calculation by direct minimization of gibbs free energy of the system at constant temperature and pressure, was used for systems containing gas hydrates. the solid hydrate phase was treated as a solid solution. the fugacities of all components of the hydrate phase were calculated as a function of compositions by the rearranged model of van der waals ...

background and objective: glucoamylase is a potent starch degrading enzyme whose cheap production has been an area of research. its production by aspergillus niger in solid-state fermentation was studied using dried garden pea peel as a substrate, which enormously reduced the production cost. the current study intended to produce glucoamylase by a cost-effective strategy and exhaustively charac...

we have used a variational approach to calculate some thermodynamic properties of the quasi-one dimensional liquid 3he such as the energy, entropy, free energy, equation of state and heat capacity at finite temperature. we have employed the lennard-jones potential as the inter-atomic interaction. we have seen that the total energy increases by increasing both temperature and density. as expecte...

the hydrogen abstraction reaction of oh radical with ch3ch2ocf2chf2 (hfe-374pc2) is investigated theoretically by semi-classical transition state theory. the stationary points on the potential energy surface of the reaction are located by using kmlyp density functional method along with 6-311++g(d,p) basis set. vibrational anharmonicity coefficients, xij, required for semi-classical transition ...