Formation enthalpies by mixing GGA and GGA+Ucalculations

Formation enthalpies by mixing GGA and GGA + U calculations

simulation and experimental studies for prediction mineral scale formation in oil field during mixing of injection and formation water

abstract: mineral scaling in oil and gas production equipment is one of the most important problem that occurs while water injection and it has been recognized to be a major operational problem. the incompatibility between injected and formation waters may result in inorganic scale precipitation in the equipment and reservoir and then reduction of oil production rate and water injection rate. ...

A Generalized Cell Formation Problem Solved by an Adapted Gga

This paper addresses the cell formation problem with alternative process plans and machine capacity constraints. The problem of Generalized Cell Formation consists in defining the preferential process and the preferential routing for each part optimizing the grouping of machines into independent manufacturing cells. The problem is reduced in two grouping problems: grouping operations (including...

Enthalpies of formation of lanthanide oxyapatite phases

A family of lanthanide silicates adopts an oxyapatitelike structure with structural formula Ln9.33h0.67(SiO4)6O2 (Ln 4 La, Sm, Nd, Gd, h 4 vacancy). The enthalpies of solution, DHS, for these materials and their corresponding binary oxides were determined by high-temperature oxide melt solution calorimetry using molten 2PbO ? B2O3 at 1078 K. These data were used to complete thermodynamic cycles...

Excess Enthalpies of Mixing in Phospholipid-Additive Membranes

Isothermal titration calorimetry (ITC) allows the measurement of composition-dependent mixing heats of amphiphiles. A number of experimental protocols are now established to measure molecular transfer heats between, for example, micellar and lamellar aggregates. This study deals with the principle understanding of the physical effects contributing to the ITC data. The physical state of the mixt...