Abstract
OXO, also called hydroformylation, is a process using alkenes with carbon monoxide and hydrogen in the effect of catalyst to gain aldehyde, alcohol and ester substances, which are more one carbon atom than raw materials. Since several advantages exist in the process of the synthesis, such as the route is short, the craft is simple, the raw material utilization ratio is high and so on, extensively study and development are obtained in modern industry and it has been successfully used in producing plasticizer, detergent and on other aspects.It is thermodynamic that is an effective important tool in solving practice problems, especially at produce practice; it has been taking an significant role. It is relatively easy to conclude the direction and limitation of the action when design new action routes or try new chemistry products.
Using the mthod of group estimation, we estimate the data which is involved in the system of the reactant on the standard state, such as the formation enthalpy, standard entropy, boiling point and evaporation entropy at the temperature of 298K, and estimate the relationship between the liquid heat capacity and the temperature, and calculate the formation enthalpy of the action and the change of the Gibbs free energy at different temperatures.With thermodynamic calculation and analysis of reaction system, it is feasible on thermodynamic for these reactions and the pressure of the reactions have little effect on these actions and good result can be gained when using PETPP/Rh complexes as the catalyst.The reactions that had been reported are commonly testing at high pressure while the data of this paper is calculated at normal pressure, which results in deviation in the experiment.
Key words: long chain alkenes; OXO; group estimation; thermodynamic calculation.