کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7089821 | 1460078 | 2016 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Thermomorphic solvent selection for homogeneous catalyst recovery based on COSMO-RS
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کلمات کلیدی
EHSLRSCTMSHRSCDMFCOSMO-RSLLEN,N-dimethylformamide - N، N-dimethylformamideliquid–liquid equilibrium - تعادل مایع و مایعrhodium - رودیمSolvent design - طراحی حلالSolvent screening - غربالگری حلالPhosphorous - فسفرconductor-like screening model - مدل غربالگری هادی مانندconductor-like screening model for real solvents - مدل غربالگری هدایت کننده برای حلال های واقعیHomogeneous catalysis - کاتالیزور همگنCOSMO - کسومو
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
تکنولوژی و شیمی فرآیندی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
One method that has shown much promise due to its simplicity and effectiveness in homogeneous catalyst recovery is the use of thermomorphic solvent systems (TMS). In this contribution, a novel method for TMS solvent selection based on quantum chemical predictions of catalyst solubility and phase equilibrium is presented. This allows for solvent effects on the catalyst to be incorporated directly into the solvent screening process. A framework for TMS design is developed and implemented using the hydroformylation of 1-dodecene and the rhodium-Biphephos catalyst as an example reaction system. In this way, several promising TMS systems were identified. Experiments were then performed to validate the model based on catalyst partitioning and phase equilibrium. This was followed by conducting a series of reactions to investigate feasibility of the new TMS systems in the actual hydroformylation. In the end it was shown that although some problems arise from inconsistencies in phase equilibrium predictions, the method does provide a functioning a priori basis for TMS development.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Engineering and Processing: Process Intensification - Volume 99, January 2016, Pages 97-106
Journal: Chemical Engineering and Processing: Process Intensification - Volume 99, January 2016, Pages 97-106
نویسندگان
Kevin McBride, Tom Gaide, Andreas Vorholt, Arno Behr, Kai Sundmacher,