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-octe ne into ethene and 7-tetradecene in the liquid phase were determined e xperimentally at a pressure of 9 bar in the temperature range 295-353 K. They were compared with the equilibrium conversions calculated by m eans of a computer program based on a new approach which takes into ac count both chemical reaction equilibrium and vapour-liquid phase equil ibrium. 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 wer e estimated in the first instance on the basis of literature data. The program was then used for the prediction of the equilibrium conversio n at different temperatures and pressures.