شبیه‌سازی مولکولی جداسازی گازها به روش غشایی: مرور کلی، چالش‌ها و چشم‌انداز آتی

نوع مقاله : مقاله مروری

نویسندگان
امیر آقایی لیواری 1
سیما مجیدی 2
سیامک پاکدل 2
حمید عرفان نیا 3
1 دانشجوی کارشناس ارشد، گروه مهندسی شیمی، دانشکده مهندسی شیمی و نفت، دانشگاه تبریز، تبریز، ایران
2 دکترا، گروه مهندسی شیمی، دانشکده مهندسی شیمی و نفت، دانشگاه تبریز، تبریز، ایران
3 دانشیار، گروه مهندسی شیمی، دانشکده مهندسی شیمی و نفت، دانشگاه تبریز، تبریز، ایران
چکیده
در ﺻﻨﺎﯾﻊ گازی، جداسازی مخلوط‌های گازی ﺑﺎ اﺳﺘﻔﺎده از روش‌های ﻣﺨﺘﻠﻔﯽ انجام می‌گیرد که نیازمند مصرف بالای انرژی هستند. تکنولوژی غشا امروزه به دلیل نیاز به فضای عملیاتی کمتر، آسیب‌رسانی کمتر به محیط‌زیست، صرفه اقتصادی و راندمان بالای انرژی یکی از تکنولوژی‌های پرکاربرد در صنایع است. کاربرد این تکنولوژی در زمینه‌های صنعتی مختلف مانند نمک‌زدایی و تصفیه آب، صنایع دارویی، ﭘﺎﻻﻳﺶ و ﭘﺘﺮوﺷﻴﻤﻲ و جداسازی گازها منجر به تقاضای بالا برای غشاها و همچنین پیشرفت در این زمینه شده است. مطالعات شبیه‌سازی دینامیک مولکولی به روشن شدن برخی از مسائل مبهم در زیر بخش‌های مختلف تکنولوژی غشا کمک کرده است. شبیه‌سازی‌های مولکولی ابزار قدرتمندی برای کامل کردن شواهد تجربی یا پیش‌بینی خواص انتقال گازهای مختلف برای جداسازی هستند؛ زیرا می‌توانند اطلاعات ساختاری را در سطح اتمی ارائه دهند که در نتیجه آن می‌توان اطلاعات ساختاری غشاها و برهمکنش ذرات در مقیاس اتمی را به دست آورد.

کلیدواژه‌ها

موضوعات

عنوان مقاله English

Molecular Dynamics Simulations of Membrane-Based Gas Separation: Overview, Challenges and Future Perspectives

نویسندگان English

Amir Aghaei- Livar 1
Sima Majidi 2
Siamak Pakdel 2
Hamid Erfan-Niya 3
1 M.Sc. Student, Department of Chemical Enginnerig, Faculty of Chemical and Petroleum Engineering, University of Tabriz, Tabriz, Iran
2 Ph.D., Department of Chemical Enginnerig, Faculty of Chemical and Petroleum Engineering, University of Tabriz, Tabriz, Iran
3 Associated Professor, Department of Chemical Engineering, Faculty of Chemical and Petroleum Engineering, University of Tabriz, Tabriz, Iran
چکیده English

The gas separation from the mixture of gases is carried out using different methods in the industries. The membrane technology was expanded in the separation field since its efficiency and appropriate operational characteristics were elucidated using various kinds of membranes. Todays, the membrane technology is one of the most widely used process in the industries due to lower energy requirements, compact size, less damage to the environment, and higher economic efficiency. Computational studies and molecular dynamics (MD) simulations have clarified some obscures in the field of the membrane technology. MD simulations are powerful tools to complement experimental evidence or predict the transport phenomena of various gases for separation of the special molecules. Particularly due to integrating Newton's equations of motion for all atoms in a system, as they can provide direct structural and dynamical information at the atomic level. As a result, the interaction of the particles on the atomic scale can be obtained.

کلیدواژه‌ها English

Molecular dynamics simulation
Gas separation
Nanotechnology
Membrane
Filtration
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  • تاریخ دریافت 15 مهر 1404
  • تاریخ بازنگری 16 آبان 1404
  • تاریخ پذیرش 20 آبان 1404