Determination of new asog parameters
Determination of new asog parameters
复制标题
新asog参数的确定
DOI：
10.1252/jcej.23.453
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发表时间：
1990
影响因子：
0.8
通讯作者：
K. Kojima
中科院分区：
文献类型：
--
作者：
K. Tochigi;D. Tiegs;J. Gmehling;K. Kojima
为了扩大适用体系，提高活度系数预测方法ASOG（Analytical Solution of Groups）的准确性，重新确定了基团相互作用参数，并对已有的一些基团相互作用参数进行了修正。群相互作用参数由原来的31个群和138个群对增加到341个群对，由43个群组成。新增十二个基团：吡啶、糠醛、ACRY、Cl（C=C）、DMSO、NMP、C≡C、SH、DMF、乙二醇、DEG、环丁砜。对其中10个组的前31个组的参数进行了修订：C=C、ArOH、GOH、O、CHO、CON、CN、ArNH 2、Cl和ArCl。然后，通过为先前31个组中的其他组提供缺失值来扩展参数。用于参数确定的实验数据的温度范围为293 ~ 423 K。
To extend the applicable systems and improve the accuracy of ASOG (Analytical Solution of Groups), which is a predictive method for activity coefficients, the group interaction parameters have been newly determined and some of those reported are revised. The group interaction parameters are increased to 341 group pairs consisting of 43 groups against the previous 31 groups and 138 group pairs. Twelve groups are newly added: pyridine, furfural, ACRY, Cl (C=C), DMSO, NMP, C≡C, SH, DMF, ethanediol, DEG, and sulfolane. The parameters for the previous 31 groups are revised for 10 of those groups: C=C, ArOH, GOH, O, CHO, CON, CN, ArNH2, Cl, and ArCl. The parameters are then extended by providing missing values for others among the 31 previous groups. The temperature range of experimental data used for parameter determination is 293 K to 423 K.