Theoretical studies of lithium–aluminum amid and ammonium as perspective hydrogen storage

Abstract A statistical theory of the phase transformation of lithium-aluminum amide with the release of ammonia has been developed. The free energies values of the phases were calculated, and their dependences on temperature, pressure, hydrogen concentration, and energy parameters were established. Phase diagram is built. The equations of the thermodynamic equilibrium state are calculated. The isoprocesses in the phases are investigated. The coefficients of squareness and uniformity of isotherms are obtained. The feature of the hydrogen concentration on temperature dependence in the phases has been established.