کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4987432 | 1368027 | 2016 | 30 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Massive, automated solvent screening for minimum energy demand in hybrid extraction-distillation using COSMO-RS
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
تصفیه و جداسازی
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
An automated approach for large-scale solvent screening is presented based on a comprehensive process-level assessment. In this solvent screening approach, COSMO-RS is used to efficiently predict physical properties for large numbers of solvents without the need for experimental data. The predicted thermodynamical behavior is used in pinch-based separation models for a thermodynamically sound and robust calculation of the minimum energy demand. With this approach, the performance of a hybrid extraction-distillation process is evaluated fully automated for more than 4600 solvents. The massive solvent screening approach is successfully applied to purification of the bio-based platform chemical γ-valerolactone (GVL). Novel promising solvents are identified. A reduction of 63% is achieved in minimum energy demand using the best predicted solvent in comparison to the literature benchmark. Restricting the approach to known classes of solvents, we still find a reduction of 31%. The process-level assessment overcomes the limitations of heuristics based on physical properties only, and allows for efficient and robust solvent screening.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Engineering Research and Design - Volume 115, Part B, November 2016, Pages 433-442
Journal: Chemical Engineering Research and Design - Volume 115, Part B, November 2016, Pages 433-442
نویسندگان
Jan Scheffczyk, Christian Redepenning, Christian M. Jens, Benedikt Winter, Kai Leonhard, Wolfgang Marquardt, André Bardow,