A METHOD FOR THE CALCULATION OF COMBINED PHASE AND CHEMICAL-EQUILIBRIA - THERMODYNAMICS OF THE METATHESIS OF 1-OCTENE IN THE LIQUID-PHASE

The thermodynamic equilibrium conversions for the metathesis of 1-octene into ethene and 7-tetradecene in the liquid phase were determined experimentally at a pressure of 9 bar in the temperature range 295-353 K. They were compared with the equilibrium conversions calculated by means of a computer program based on a new approach which takes into account both chemical reaction equilibrium and vapour-liquid phase equilibrium. Calculated and measured equilibrium conversions could be made to coincide by bringing about minor changes in the values of DELTAG(f)0 underbar and DELTAH(f)0 underbar for 7-tetradecene. These values were estimated in the first instance on the basis of literature data. The program was then used for the prediction of the equilibrium conversion at different temperatures and pressures.