Hi everyone this blog is about how pure components properties are calculated using the group contribution methods available.
There is nothing much to explain because Wikipedia covered about joback method to calculate the 11 properties and also given example for acetone.
The 11 properties are, Boiling point, critical temperature, critical pressure, critical volume, melting point, hformation, gformation, heat capacity, heat of fusion and dynamic viscosity
I am writing this blog, is just for my practice for another compound namely methylchloride (CH3CL), so CH3- is a paraffinic group and CL is a chlorine derivative. Here CH3 is one group and CL is another group. So we want to know how these two groups contribute to form a compound.
To begin with, as explained in Wikipedia collect all the individual /group properties like critical properties tc, pc, vc, tm, hform, gform, and as per correlation just sum it and substitute in equation. In software's this groups data will be saved in databases.
I have also compared with standard software as well. For my surprise I could able to match the compound properties even in decimal level.
The advantage here is the correlations are very simple all we need to do is summation of individual group properties and substitute in correlations. All properties are calculated at standard conditions 1bar and 25degC.
Joback is an extension of lyderson who found relationship between boiling point and critical point.
There is nothing much to explain because Wikipedia covered about joback method to calculate the 11 properties and also given example for acetone.
The 11 properties are, Boiling point, critical temperature, critical pressure, critical volume, melting point, hformation, gformation, heat capacity, heat of fusion and dynamic viscosity
I am writing this blog, is just for my practice for another compound namely methylchloride (CH3CL), so CH3- is a paraffinic group and CL is a chlorine derivative. Here CH3 is one group and CL is another group. So we want to know how these two groups contribute to form a compound.
To begin with, as explained in Wikipedia collect all the individual /group properties like critical properties tc, pc, vc, tm, hform, gform, and as per correlation just sum it and substitute in equation. In software's this groups data will be saved in databases.
I have also compared with standard software as well. For my surprise I could able to match the compound properties even in decimal level.
The advantage here is the correlations are very simple all we need to do is summation of individual group properties and substitute in correlations. All properties are calculated at standard conditions 1bar and 25degC.
Joback is an extension of lyderson who found relationship between boiling point and critical point.
No comments:
Post a Comment