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  2. Miedema's model - Wikipedia

    en.wikipedia.org/wiki/Miedema's_model

    It may provide or confirm basic enthalpy data needed for the calculation of phase diagrams of metals, via CALPHAD or ab initio quantum chemistry methods. For a binary system composed by elements A and B, a generic Miedema Formula could be cast as Δ H = f ( E l e m e n t A , P h i A , n W S A , V A , E l e m e n t B .

  3. Standard enthalpy of formation - Wikipedia

    en.wikipedia.org/wiki/Standard_enthalpy_of_formation

    This is true for all enthalpies of formation. The standard enthalpy of formation is measured in units of energy per amount of substance, usually stated in kilojoule per mole (kJ mol −1), but also in kilocalorie per mole, joule per mole or kilocalorie per gram (any combination of these units conforming to the energy per mass or amount guideline).

  4. Benson group increment theory - Wikipedia

    en.wikipedia.org/wiki/Benson_group_increment_theory

    Benson group-increment theory (BGIT), group-increment theory, or Benson group additivity uses the experimentally calculated heat of formation for individual groups of atoms to calculate the entire heat of formation for a molecule under investigation. This can be a quick and convenient way to determine theoretical heats of formation without ...

  5. Gibbs–Helmholtz equation - Wikipedia

    en.wikipedia.org/wiki/Gibbs–Helmholtz_equation

    This equation quickly enables the calculation of the Gibbs free energy change for a chemical reaction at any temperature T 2 with knowledge of just the standard Gibbs free energy change of formation and the standard enthalpy change of formation for the individual components. Also, using the reaction isotherm equation, [8] that is

  6. Heat of formation group additivity - Wikipedia

    en.wikipedia.org/wiki/Heat_of_formation_group...

    These four equations and 4 unknowns work out to estimations for P (-10.01 kcal/mol), S (-4.99 kcal/mol), T (-2.03 kcal/mol) and Q (-0.12 kcal/mol). Of course the accuracy will increase when the dataset increases. the data allow the calculation of heat of formation for isomers. For example, the pentanes: n-pentane = 2P + 3S = -35 (exp. -35 kcal/mol)

  7. Standard Gibbs free energy of formation - Wikipedia

    en.wikipedia.org/wiki/Standard_Gibbs_free_energy...

    The standard Gibbs free energy of formation (G f °) of a compound is the change of Gibbs free energy that accompanies the formation of 1 mole of a substance in its standard state from its constituent elements in their standard states (the most stable form of the element at 1 bar of pressure and the specified temperature, usually 298.15 K or 25 °C).

  8. Heats of fusion of the elements (data page) - Wikipedia

    en.wikipedia.org/wiki/Heats_of_fusion_of_the...

    J.A. Dean (ed), Lange's Handbook of Chemistry (15th Edition), McGraw-Hill, 1999; Section 6, Thermodynamic Properties; Table 6.4, Heats of Fusion, Vaporization, and Sublimation and Specific Heat at Various Temperatures of the Elements and Inorganic Compounds

  9. Van 't Hoff equation - Wikipedia

    en.wikipedia.org/wiki/Van_'t_Hoff_equation

    The Van 't Hoff equation relates the change in the equilibrium constant, K eq, of a chemical reaction to the change in temperature, T, given the standard enthalpy change, Δ r H ⊖, for the process. The subscript r {\displaystyle r} means "reaction" and the superscript ⊖ {\displaystyle \ominus } means "standard".