INVESTIGASI EKSTRAK BAHAN ALAM SEBAGAI INHIBITOR KOROSI HIJAU PADA BAJA MENGGUNAKAN TEORI FUNGSIONAL KERAPATAN

[Do not Cite This Paper Until June 2022]

Keywords: baja, inhibitor korosi, DFT

Abstract

Salah satu material yang ketahanannya terhadap korosi rendah adalah baja ketika berinteraksi dengan lingkungan korosif. Penggunaan green inhibitor mampu memberikan kinerja penghambatan korosi yang baik dengan efisiensi inhibisi yang tinggi pada baja.  Green inhibitor yang dalam struktur senyawanya mengandung gugus heteroatom (seperti O, N, S, P) dan cincin aromatik efisien digunakan sebagai inhibitor korosi pada baja. Makalah ini memberikan tinjauan komparatif penting bagi pengembangan green inhibitor ekstrak bahan alam pada baja. Kajian DFT pada level atomik berdasarkan orbital molekuler, parameter kuantum kimia, dan karakteristik adsorpsi menunjukkan hasil yang sesuai dengan hasil eksperimen. Distribusi kerapatan elektron melalui plot Frontier Molecular Orbitals (FMO) menggambarkan prediksi situs aktif melalui distribusi daerah HOMO-LUMO molekul inhibitor yang berinteraksi dengan permukaan baja. Untuk mendapatkan korelasi antara sifat elektronik molekul inhibitor dengan potensi penghambatan (inhibisi) korosi, kalkulasi parameter kimia kuantum seperti potensial ionisasi (I), afinitas elektron (A), kekerasan global (η), elektronegativitas absolut (χ), kelembutan global (σ), fraksi elektron yang ditransfer (ΔN), elektrofilisitas global (ɷ) dan donasi balik elektron (ΔEback-donation) menunjukkan reaktivitas molekul inhibitor yang berpotensi sangat baik untuk dapat berinteraksi dan berikatan kuat dengan permukaan logam, sehingga berpotensi menghasilkan efisiensi inhibisi yang tinggi. Mekanisme inhibisi korosi dapat melalui adsorpsi kimia dan/atau adsorpsi fisika dengan membentuk senyawa kompleks antara molekul inhibitor dengan permukaan baja untuk melindungi dari lingkungan korosif. Pengembangan kajian ke depan harus dapat menampilkan mekanisme interaksi dan inhibisi dari molekul inhibitor secara lebih detail dan sistematis pada level atomik pada beberapa permukaan logam seperti Fe, Al, Cu, dan lainnya.

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Published
2022-01-14
How to Cite
Akrom, M. (2022) “INVESTIGASI EKSTRAK BAHAN ALAM SEBAGAI INHIBITOR KOROSI HIJAU PADA BAJA MENGGUNAKAN TEORI FUNGSIONAL KERAPATAN”, Sebatik, 26(1). doi: https://doi.org/10.46984/sebatik.v26i1.1686.