关于SBA和水的倾析器分离问题? 多谢2楼的建议!我用unifac估算了nrtl方法中sba和水的二元交互参数,见下面的数据。其中后两列source为r-pces的即为估算的参数。这样建立decanter模型后就可以把sba和水分开。 component i aceti-01 sec-b-01 sec-b-01 component j water water aceti-01 temperature units k k k source vle-hoc r-pces r-pces aij -1.976300000 1.945191890 2.1402449e-12 aji 3.329300000 1.815296230 2.1402449e-12 bij 609.8886000 299.9660550 -30000.00000 bji -723.8881000 884.6075390 -30000.00000 cij .3000000000 .3000000000 .3000000000 dij 0.0 0.0 0.0 eij 0.0 0.0 0.0 eji 0.0 0.0 0.0 fij 0.0 0.0 0.0 fji 0.0 0.0 0.0 tlower 293.1500000 25.00000000 25.00000000 tupper 502.9000000 60.00000000 60.00000000 但是我用radfrac中带有decanter的那个模块模拟水、酸和sba精馏时,却又出现下述错误: block: b1 model: radfrac *** severe error flash calculations failed to converge in 50 iterations. *** severe error flash calculations failed to converge in maximum number of iterations. composite feed flash failed to converge; supply t-est, x-est and y-est as a workaround. 似乎是没有提供t-est,x-est和y-est等造成的无法计算问题,难道unifac估算的参数不够吗?或是建模方法不对?请教。查看更多