نشریه شیمی و مهندسی شیمی ایران

نشریه شیمی و مهندسی شیمی ایران

بررسی عملکرد شبکه عصبی باریک برای پیش‌بینی ظرفیت جذب گاز زنون در چارچوب‌های آلی-فلزی

نوع مقاله : علمی-پژوهشی

نویسندگان
1 گروه مهندسی شیمی، دانشکده فنی، دانشگاه تهران، تهران، ایران
2 پژوهشکده چرخه سوخت هسته ای، پژوهشگاه علوم و فنون هسته‌ای، تهران، ایران
چکیده
چارچوب‌های آلی-فلزی به‌عنوان مواد پیشرفته متخلخل، کاربرد گسترده‌ای در جذب و جداسازی گازها دارند. در این مطالعه، از یک شبکه عصبی باریک برای پیش‌بینی ظرفیت جذب زنون در چارچو‌های آلی - فلزی فرضی استفاده شده است. مدل توسعه‌یافته با استفاده از شش ویژگی ساختاری شامل کسر حفره، مساحت سطح جرمی و حجمی ، قطر محدودکننده حفره، بزرگ‌ترین قطر حفره، نسبت بزرگ‌ترین قطر حفره به قطر محدودکننده حفره و فشار آموزش داده شد. تحلیل داده‌ها نشان داد که می‌توان دقت مدل با (8/0=R2) و مقادیر کم RMSE (96/0) و MAE (66/0) بهترین عملکرد را ارائه دهند. برای صحه‌سنجی مدل، MOF نوع HKUST-1 سنتز و ارزیابی شد. تحلیل‌های XRD  و SEM ، ساختار بلوری مکعبی و ریخت­ شناسی منظم آن را تأیید کردند. ظرفیت جذب زنون HKUST-1 در شرایطC ° 25 و فشار (1) bar  برابر با (91/1) mol/kg اندازه‌گیری شد که با مقدار پیش‌بینی‌شده مدل  (53/1) mol/kg  همخوانی داشت.
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