Akademik Veri Yönetim Sistemi
5th International Eurasian Conference on Biological and Chemical Sciences, Ankara, Türkiye, 23 - 25 Kasım 2022, ss.458
Critical properties of chemical compounds are essential in designing and operating chemical industrial operations. Obtainment of these properties experimentally requires extreme conditions that can be unattainable. The applicability of such experiments is limited due to the high consumption of time, and energy. Over the past years, many scientists have worked on developing methods to predict critical properties without the need for experimental work. In terms of simplicity, one of the best methods developed is known as the Lydersen method. Lydersen method uses the group contribution method to predict critical properties depending on the functional groups contained in each compound. However, some concerns about the accuracy of this method arose from the growing demand for highly accurate data. In this study, the performance of the Lydersen method was investigated by evaluating the group contributions of 60 alcohol samples. The results were compared to the experimental critical properties. (RMSE, R2) pairs for the estimation of critical temperature, critical pressure, and critical volume by using the Lydersen method were calculated as (13.3030, 0.9635), (4.8234, 0.8381), and (19.0390, 0.9757), respectively. The results clearly show that while the Lydersen method provides appropriate estimates for the critical properties, there is still room for improvement, and advanced modeling applications for specific material groups should be investigated further in order to obtain more satisfactory critical property estimations.