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Antti Roine HSC Chemistry® 7.0 10 - 7 August 10, 2006 09006-ORC-J Write the reaction equation into the box, see Fig. 3. If you have not given the stoichiometric coefficients for the species, you can press Balance Equation for solving unknown coefficients. The balance button solves the coefficients on the basis of element balance equations. Therefore it cannot solve unknown coefficients if their number is larger than the number of elements in the corresponding reaction. On the right side of the button you may give a multiplier, which will be used to multiply all the coefficients in the reaction equation. The default value is 1, which means that the smallest stoichiometric coefficient in the reaction equation is 1. You can continue in the same way as in the One Chemical Formula option Chapter 10.1. Note that the Delta Format and Show Transitions options have no effect on the results, because the enthalpy and Gibbs energy of a reaction are in the Delta format by definition. HSC calculates the stoichiometry of the reaction given by the user, and points out errors if the element balance is incorrect. The example in Fig. 3 refers to the Mond-process for refining impure nickel. In the process raw impure nickel is first treated with CO gas at 60 °C to evaporate the nickel as a carbonyl gas. In the second stage, the temperature of the gas is increased to 200 °C to decompose the nickel carbonyl gas into pure metallic nickel and CO. This process works because the equilibrium of this reaction is on the right side (Equilibrium constant K > 1) at lower temperatures and on the left side (K < 1) at higher temperatures. The reaction is exothermic (DH is negative) at all temperatures. Vapor pressures p can be calculated by writing the reaction equation for the vaporization reaction concerned. For example, for pure magnesium the equilibrium is Mg = Mg(g), Fig. 5. The activity a of pure magnesium is 1 and thus the vapor pressure in bar is equal to the equilibrium constant according to Eq. (10) in Chapter 8. Introduction and Eq. (1). See also Fig. 6. K = pMg/aMg = pMg [1] If a substance vaporizes into several polymers, all of them must be taken into account. The total vapor pressure is then the sum of all the individual partial pressures, if the gas phase behaves ideally. You can also calculate more complicated reactions. First write the reaction as shown in Fig. 7, then press Balance for the coefficients, see Fig. 8 and finally press Calculate for the results, see Fig. 9. Note that for aqueous ionic reactions HSC also calculates the electrode potential versus Standard Hydrogen Electrode if electron (e-) is used in the formula. You can calculate mass balances in moles, grams and liters for any reaction. The species does not need to exist in the HSC databases.PDF Image | REACTION EQUATIONS
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