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حذف متیلن بلو از محلولهای آبی توسط نانوکامپوزیت CuFe2O4/PVP: مطالعه آزمایشگاهی و نظری | ||
تحقیقات آب و خاک ایران | ||
مقاله 8، دوره 55، شماره 11، بهمن 1403، صفحه 2109-2124 اصل مقاله (1.85 M) | ||
نوع مقاله: مقاله پژوهشی | ||
شناسه دیجیتال (DOI): 10.22059/ijswr.2024.379082.669764 | ||
نویسندگان | ||
محبوبه سلیمانی فرد1؛ نرگس صمدانی لنگرودی* 2؛ مسعود جوان3؛ علی اکبر دهنوخلجی2 | ||
1گروه شیمی، دانشکده علوم، دانشگاه گلستان، گرگان | ||
2گروه شیمی، دانشکده علوم، دانشگاه گلستان، گرگان، ایران | ||
3گروه فیزیک، دانشکده علوم، دانشگاه گلستان، گرگان، ایران | ||
چکیده | ||
رنگها از بزرگترین آلایندههای محیط زیست هستند که منجر به بروز مشکلات زیست محیطی میشوند. رنگ کاتیونی متیلن بلو با ساختار آروماتیکی پیچیده از جمله کاربردیترین ماده رنگی است که برای رنگ آمیزی ابریشم، پنبه و پشم بهکار میرود. در این مطالعه ابتدا نانوکامپوزیت CuFe2O4/PVP بهعنوان جاذب بهمنظور جذب سطحی متیلن بلو از محیط آبی سنتز شده و خصوصیات آن با روشهای IR، XRD و SEM بررسی گردید. اثر متغیرهای pH ، زمان تماس و مقدار جاذب بر روی راندمان جذب رنگ بررسی شد. حداکثر راندمان جذب متیلن بلو در pH برابر با 12، زمان تماس 90 دقیقه و با مقدار جاذب 1 گرم در حدود 65 درصد حاصل شد. همچنین مطالعات سینتیکی فرایند جذب با به کار بردن دو مدل سینتیکی صورت گرفت. سینتیک جذب متیلن بلو توسط نانوکامپوزیت CuFe2O4/PVP به خوبی با مدل سینتیکی شبه مرتبه دوم مطابقت دارد. علاوه بر آزمایشها، شبیهسازیهای تئوری تابعی چگالی دقیق (DFT) با موفقیت برای بررسی فعل و انفعالات و جذب احتمالی متیلن بلو بر روی جاذب مورد استفاده قرار گرفت. مطالعات مبتنی بر نظریه تابعی چگالی نشان داد که جذب متیلن بلو روی سطح جاذب CuFe2O4/PVP بهصورت پایدار است و انرژی پیوندی آن با جاذب در حدود 831/0 تا 971/0 الکترون ولت است. جذب این رنگ میزان شکاف انرژی را کاهش داده و بنابراین نقل و انتقالات الکترون آسانتر انجام میشود. | ||
کلیدواژهها | ||
جذب سطحی؛ CuFe2O4/PVP؛ نظریه تابعی چگالی؛ متیلن بلو | ||
عنوان مقاله [English] | ||
The Removal of Methylene Blue from Aqueous Solutions Using CuFe2O4/PVP Nanocomposite: An Experimental and Theoretical Study | ||
نویسندگان [English] | ||
Mahbobeh Soleimani Fard1؛ Narges Samadani Langeroodi2؛ Masoud Javan3؛ Aliakbar Dehno Khalaji2 | ||
1Department of Chemistry, Faculty of Sciences, Golestan University, Gorgan, Iran | ||
2Department of Chemistry, Faculty of Sciences, Golestan University, Gorgan, Iran | ||
3Department of Physics, Faculty of Sciences, Golestan University, Gorgan, Iran | ||
چکیده [English] | ||
Colors are one of the major environmental pollutants that lead to ecological problems. Methylene blue cationic dye with a complex aromatic structure is one of the most common dyes for coloring silk, cotton, and wool. In this study, CuFe2O4/PVP nanocomposite was synthesized as an adsorbent for the adsorption of methylene blue from aqueous solutions and was characterized using IR, XRD, and SEM techniques. The study also examined the effects of pH, contact time, and adsorbent mass on the dye's adsorption efficiency. The maximum adsorption efficiency of methylene blue was achieved at a pH of 12, with a contact time of 90 minutes and an adsorbent mass of 1 gram, resulting in an efficiency of approximately 65%. Kinetic studies of the adsorption process were also conducted by applying two models. Kinetic studies demonstrated that the adsorption of methylene blue onto the CuFe₂O₄/PVP nanocomposite conformed well to a pseudo-second-order kinetic model. Density functional theory (DFT) simulations explored methylene blue's interactions and potential adsorption of methylene blue onto the adsorbent. DFT simulations confirmed the stability of methylene blue adsorption on the nanocomposite surface, with binding energies ranging from 0.831 to 0.971 eV. The adsorption of methylene blue also reduced the energy gap, indicating easier electron transmission. | ||
کلیدواژهها [English] | ||
Adsorption, CuFe2O4/PVP, Density functional theory, Methylene blue | ||
مراجع | ||
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