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For many substances, the formation reaction may be considered as the sum of a number of simpler reactions, either real or fictitious. The enthalpy of reaction can then be analyzed by applying Hess' law, which states that the sum of the enthalpy changes for a number of individual reaction steps equals the enthalpy change of the overall reaction.
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".
Standard enthalpy of formation is the enthalpy change when one mole of any compound is formed from its constituent elements in their standard states. The enthalpy of formation of one mole of ethane gas refers to the reaction 2 C (graphite) + 3 H 2 (g) → C 2 H 6 (g).
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
The law states that the total enthalpy change during the complete course of a chemical reaction is independent of the sequence of steps taken. [2] [3] Hess's law is now understood as an expression of the fact that the enthalpy of a chemical process is independent of the path taken from the initial to the final state (i.e. enthalpy is a state ...
The Joback method, often named Joback–Reid method, predicts eleven important and commonly used pure component thermodynamic properties from molecular structure only. It is named after Kevin G. Joback in 1984 [1] and developed it further with Robert C. Reid. [2] The Joback method is an extension of the Lydersen method [3] and uses very similar groups, formulas, and parameters for the three ...
The equation parameters and all other information required to calculate values of the important thermodynamic functions are stored in a thermodynamic datafile. The values are organized in a format that makes them readable by a thermodynamic calculation program or for use in a spreadsheet.
Since the heat of combustion of these elements is known, the heating value can be calculated using Dulong's Formula: HHV [kJ/g]= 33.87m C + 122.3(m H - m O ÷ 8) + 9.4m S where m C , m H , m O , m N , and m S are the contents of carbon, hydrogen, oxygen, nitrogen, and sulfur on any (wet, dry or ash free) basis, respectively.