A SEMI-EMPIRICAL MOLECULAR ACTIVITY COEFFICIENT MODEL WITH IRREGULAR PARAMETER DISTRIBUTION
Titel:
A SEMI-EMPIRICAL MOLECULAR ACTIVITY COEFFICIENT MODEL WITH IRREGULAR PARAMETER DISTRIBUTION
Auteur:
Sayar, Ahmet Alp
Verschenen in:
Chemical engineering communications
Paginering:
Jaargang 80 (1989) nr. 1 pagina's 127-134
Jaar:
1989-06-01
Inhoud:
A new semi-empirical molecular model was proposed to predict activity coefficients, using two adjustable binary parameters. For γi's of 20 mostly polar, associated and dimerizable binary and 7 ternary systems, average relative root mean square deviation of 0.0373 and 0.0369 respectively were achieved. It was shown that in most cases the new model is more suitable for correlating VLE data than the Wilson (0.0783, 0.0859), NRTL (0.0461, 0.0483), UNIQUAC (0.2598, 0.0546) and modified UNIOUAC (0.0580, 0,0558) equations*
Tijdschrift beschrijving