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All Journal JURNAL KIMIA SAINS DAN APLIKASI Chemica: Jurnal Ilmiah Kimia dan Pendidikan Kimia Alchemy : Journal of Chemistry Jurnal Pengabdian Kepada Masyarakat Sakai Sambayan CHEMPUBLISH JOURNAL Indonesia Chimica Acta Al-Kimia Jurnal SOLMA CHEESA: Chemical Engineering Research Articles Walisongo Journal of Chemistry Indonesian Journal of Chemical Analysis (IJCA) Jurnal Crystal : Publikasi Penelitian Kimia dan Terapannya Jurnal Jejaring Matematika dan Sains Jurnal ABDINUS : Jurnal Pengabdian Nusantara Stannum : Jurnal Sains dan Terapan Kimia Jurnal Sains dan Edukasi Sains SPIN: Jurnal Kimia & Pendidikan Kimia Jurnal Bakti Untuk Negeri Nanggroe: Journal Of Scholarly Service Nanggroe: Journal of Scholarly Service Rafflesia Journal of Natural and Applied Sciences (RJNAS) Jurnal Sains Materi Indonesia Bohr: Jurnal Cendekia Kimia NAWASENA: Journal of Community Service Helium: Journal of Science and Applied Chemistry
Mokhamat Ariefin
Department Of Chemistry, Faculty Of Mathematic And Science, University Of Palangka Raya
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Engineering Environmental Science Health Professions Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Other

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Journal : Al-Kimia

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Theoritical Studies of Corossion Inhibition of Coumarin and Coumarin Derivative on Iron by Density Functional Theory Approaches Ariefin, Mokhamat; Pasaribu, Marvin Horale
Al-Kimia Vol 11 No 1 (2023): JUNE
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v11i1.38217

Abstract

Corrosion of iron is a persistent problem that affects its structural integrity and durability in various industrial applications. The design of effective corrosion inhibitors is crucial for mitigating aluminum corrosion. In recent years, coumarin derivatives have shown promising potential as corrosion inhibitors for iron due to their unique chemical properties. In this research, we employ density functional theory (DFT) calculations to investigate electrochemical parameters of coumarin derivatives on iron corrosion. Coumarin (a) and its derivative: hymechromone (b), esculetin (c), and scopoletin (d) are analyzed using DFT calculation. Some descriptor is used to identify such as ionisation energy (I), electron affinity (A), EHOMO, ELUMO, Egap, electronegativity ( ), hardness ( ), number of fraction electron transferred ( N). Based on the EHOMO, ELUMO, Egap, electronegativity ( ), hardness ( ), the order of inhibitor potential of coumarin and it derivative is c > d > b > a. However, based on the number of fractional electrons transferred ( N), the potential inhibitor of coumarin and it derivative are c > b > d > a.
Co-Authors Alfanaar, Rokiy Andra Ari P., Eko Marwanto Heru Mulyantoro Dwi Hermayantiningsih Ansori Rahman Ariska, Risya Ayu Puspita Sari Ayuchecaria, Noverda Bela D Bibit Harianto Cahyani, Risfiah Cahyani, Risfiah Ruli Dicky Perwira Ompusunggu Dominikus Diki Wahyudi Dongoran, Junita Dwi Hermayantingsih Efriyana oksal Elvina Dhiaul Iftitah Esintia Kristia Fatchiyatun Ni’mah Febriana Kesuma, Ruth Ferdinand Hidayat Hakim, Muh. Supwatul Hakim, Supwatul Harianto, Bibit Hermayatiningsih, Dwi Isaura Silalahi, Anastasya Jeddah Yanti Kalalinggi, Septaria Yolan Komara, Nisa Kartika Krissilvio, Eka Jhonatan Lidya Tesalonika Lilis Rosmainar Maknun, Luluil Marvin Horale Pasaribu Muhammad Hilmi Afthoni Multazam Nababan, Jessicca Nainggolan, Yuni Natania Gracia, Amanda Ni Wayan Prema Mulya Sari Ni Wayan Prema Mulyasari Ni'mah, Fatchiyatun Oksal, Efriyana Oktaviani, Revalina Paksi, Pandu Gizta Rapi Pramudita, Dimas Prianus, Okta Purba, Abed Nego Rahmi Wulandari, Oktavia Remi Ayu Pratika Retno Agnestisia Risfa Aliya Al-Hadi Rizki Rachmad Saputra Roil Bilad, Muhammad Ryu Pratiwi, Djihan Sari, Meiyanti Ratna Kumala Simangunsong, Sri Yulandari Simbolon, Wenika Siska, Amelia Siti Misbah Aisah Steven , Kur Yehezkiel Sugiani, Tina Sulistiawati, Putri Suma, Joy Angel Aria Sun Theo Constan Lotebulo Ndruru Surbakti, Ranintha Br. Syaputra, Noor Angga Syarpin syarpin syarpin, syarpin Tampubolon, Mulani Jeni Lestari Tety Wahyuningsih Manurung Titik Andriani, Titik Utami Irawati Vety Sri Harlinda Ayudha Wahyuningsih Manurung, Tety Yolan Kalalilinggi, Septaria Yuliana Yuneta Yuyun Yuniarti, Yuyun