Hiệu suất ức chế của cấu trúc nano graphene oxide/bạc đối với sự ăn mòn vi sinh: Nghiên cứu mô phỏng động lực học phân tử

Springer Science and Business Media LLC - Tập 29 - Trang 49884-49897 - 2022
Sara Taghavi Kalajahi1, Soheil Rezazadeh Mofradnia2, Fatemeh Yazdian3, Behnam Rasekh4, Jaber Neshati5, Lobat Taghavi1, Mehrab Pourmadadi6, Bibi Fatemeh Haghirosadat7,8
1Department of Natural Resources and Environment, Science and Research Branch, Islamic Azad University, Tehran, Iran
2Materials and Energy Research Center (MERC), Energy Department, Solar Energy Group, Karaj, Iran
3Department of Life Science Engineering, Faculty of New Science and Technologies, University of Tehran, Tehran, Iran
4Environment and Biotechnology Division, West Blvd. of Azadi Sport Complex, Research Institute of Petroleum Industry (RIPI), Tehran, Iran
5Energy and Environment Research Center, West Blvd. of Azadi Sport Complex, Research Institute of Petroleum Industry (RIPI), Tehran, Iran
6School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, Iran
7Medical Nanotechnology & Tissue Engineering Research Center, Yazd Reproductive Sciences Institute, Shahid Sadoughi University of Medical Sciences, Yazd, Iran
8Department of Advanced Medical Sciences and Technologies, School of Paramedicine, Shahid Sadoughi University of Medical Sciences, Yazd, Iran

Tóm tắt

Thép là một trong những vật liệu được sử dụng chủ yếu trong ngành công nghiệp dầu khí. Tuy nhiên, nó dễ bị ăn mòn trong môi trường biển, mà 20% tổng lượng ăn mòn trong môi trường biển là do ăn mòn ảnh hưởng vi sinh (MIC) gây ra. Những tác động kinh tế và môi trường của sự ăn mòn là đáng kể, và việc chống lại sự ăn mòn trong bối cảnh bền vững và phương pháp thân thiện với môi trường là rất quan trọng. Trong nghiên cứu này, ảnh hưởng ức chế của cấu trúc nano graphene oxide/bạc (GO-Ag) đối với sự ăn mòn của thép trong sự hiện diện của vi khuẩn khử sulfat (SRB) đã được điều tra thông qua đo lường mất trọng lượng (WL) và phân cực Tafel. Hơn nữa, các mô phỏng động lực học phân tử (MD) đã được thực hiện nhằm thu được hiểu biết sâu sắc về hiệu ứng ức chế ăn mòn của GO-Ag. GO-Ag cho thấy hiệu ứng kháng khuẩn đáng kể ở mức 80 ppm. Thêm vào đó, các phép đo WL và phân cực Tafel cho thấy hiệu suất ức chế lớn, đạt tới 84% giảm WL và 98% giảm mật độ dòng ăn mòn (Icorr) sau 7 ngày ủ với GO-Ag. Dựa trên các mô phỏng MD, năng lượng liên kết đã đạt giá trị lớn hơn trong sự hiện diện của GO-Ag, điều này chỉ ra khả năng của các tấm graphene oxide được hấp phụ trên bề mặt thép và ngăn chặn sự tiếp cận của các tác nhân gây ăn mòn đến bề mặt thép. Kết quả hàm phân bố bán kính (RDF) ngụ ý khoảng cách giữa tác nhân gây ăn mòn (nước và SRB) và bề mặt thép (các nguyên tử Fe), điều này cho thấy sự bảo vệ bề mặt thép nhờ vào sự hấp phụ hiệu quả của các tấm GO qua các điểm hoạt động trên bề mặt thép. Kết quả dịch chuyển bình phương trung bình (MSD) cho thấy sự dịch chuyển nhỏ hơn của các hạt gây ăn mòn trên bề mặt thép, dẫn đến việc các phân tử GO-Ag liên kết với các phân tử Fe trên bề mặt thép.

Từ khóa

#ăn mòn #graphene oxide #bạc #vi sinh #mô phỏng động lực học phân tử

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