Muhamad Akrom - Academia.edu (original) (raw)

Papers by Muhamad Akrom

Research paper thumbnail of Experimental Investigation of Natural Plant Extracts as a Green Corrosion Inhibitor in Steel

Journal of Renewable Energy and Mechanics, Feb 28, 2022

Research paper thumbnail of Investigation of Natural Extracts as Green Corrosion Inhibitors in Steel Using Density Functional Theory

Jurnal Teori dan Aplikasi Fisika, 2022

Steel is a material that has low resistance to corrosion when interacting with a corrosive enviro... more Steel is a material that has low resistance to corrosion when interacting with a corrosive environment. The application of natural extracts as green inhibitors is able to provide good performance in inhibiting corrosion of steel with high inhibition efficiency. Natural extracts that are effective and efficient as corrosion inhibitors on steel are those which in their compound structure contain heteroatom groups (such as O, N, S, P) and aromatic rings. This work provides an important comparative overview for the development of green inhibitor natural extracts in steel. The results of theoretical studies based on quantum mechanics with the DFT method at the atomic level based on molecular orbitals, chemical quantum parameters, and adsorption characteristics show results that are in accordance with experimental studies. The frontier molecular orbital (FMO) plot shows the distribution of electron density in the HOMO-LUMO region as a predictor of the active site of the inhibitor molecule interacting with the steel surface. Quantum chemical parameters such as ionization potential (I), electron affinity (A), absolute electronegativity (χ), hardness (η), softness (σ), fraction of electrons transferred (ΔN), electrophilicity (ɷ), and electron backdonation (ΔEback-donation) was calculated to obtain a correlation between the electronic properties of the inhibitor molecule and the corrosion inhibition potential. The results of the calculation of the quantum chemical parameters show the reactivity of the inhibitor molecule which has a very good potential to interact and bind strongly to the steel surface. This has the potential to make the inhibitor molecule have a high inhibition efficiency. Chemical adsorption and/or physical adsorption by forming complex compounds between inhibitor molecules and the steel surface are corrosion inhibition mechanisms to protect steel from a corrosive environment.The development of future studies should be able to display the mechanism of interaction and inhibition of inhibitor molecules in more detail and systematically at the atomic level on several metal surfaces such as Fe, Al, Cu, and others.

Research paper thumbnail of Investigasi Ekstrak Bahan Alam Sebagai Inhibitor Korosi Hijau Pada Baja Menggunakan Teori Fungsional Kerapatan

Sebatik, 2022

Salah satu material yang ketahanannya terhadap korosi rendah adalah baja ketika berinteraksi deng... more 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 pe...

Research paper thumbnail of A First-Principle study of the O, O2, OH, and HO2 adsorption on the Fe (100) surface

Abstract: The purpose of this study was to investigate the interaction between O, O2, OH, and HO2... more Abstract: The purpose of this study was to investigate the interaction between O, O2, OH, and HO2 species on the Fe(100) surface using the DFT method. The DFT calculation provides specific information of the electronic structure of a molecules in ground state. The results show that the O atom preferred to be adsorbed on the hollow site, the OH species was adsorbed on the bridge site, while the O2 molecule was dissociated into two O atoms where both were adsorbed on the hollow site. Furthermore, when the H atom is attached to one of the O atoms of the dissociated O2 molecule, the OH species is formed which is adsorbed at the bridge site, and another O atom which remains adsorbed at the hollow site. This study can provide preliminary information on the adsorption mechanism of O, O2, OH, and HO2 species in explaining the electrochemical corrosion mechanism in our next work.Abstrak: Penelitian ini bertujuan untuk mengetahui interaksi antara spesi O, O2, OH, dan HO2 pada permukaan Fe(100...

Research paper thumbnail of Fisika praktis : cara mudah memahami fisika

Research paper thumbnail of Investigation of Syzygium Aromaticum and Nicotiana Tabacum Extracts as Corrosion Inhibitor

Science Tech: Jurnal Ilmu Pengetahuan dan Teknologi

In the present work, corrosion inhibition of Syzygium aromaticum and Nicotiana tabacum extract wa... more In the present work, corrosion inhibition of Syzygium aromaticum and Nicotiana tabacum extract was studied by DFT method. Frontier molecular orbitals (FMO) plots, quantum chemical descriptors such as highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), energy gap (ΔE), dipole moment (l) and partial charge analysis were calculated. The results obtained show that the eugenol as extract of Syzygium aromaticum and nicotine as extract of Nicotiana tabacum acts as an effective green corrosion inhibitor. In general, nicotine has a better potential as an green corrosion inhibitor than eugenol based on chemical reactivity. However, further studies are needed to gain insight into the mechanism of corrosion inhibition through the study of the adsorption of eugenol and nicotine molecules on metal surfaces.

Research paper thumbnail of Experimental Investigation of Natural Plant Extracts as a Green Corrosion Inhibitor in Steel

Journal of Renewable Energy and Mechanics, Feb 28, 2022

Research paper thumbnail of Investigation of Natural Extracts as Green Corrosion Inhibitors in Steel Using Density Functional Theory

Jurnal Teori dan Aplikasi Fisika, 2022

Steel is a material that has low resistance to corrosion when interacting with a corrosive enviro... more Steel is a material that has low resistance to corrosion when interacting with a corrosive environment. The application of natural extracts as green inhibitors is able to provide good performance in inhibiting corrosion of steel with high inhibition efficiency. Natural extracts that are effective and efficient as corrosion inhibitors on steel are those which in their compound structure contain heteroatom groups (such as O, N, S, P) and aromatic rings. This work provides an important comparative overview for the development of green inhibitor natural extracts in steel. The results of theoretical studies based on quantum mechanics with the DFT method at the atomic level based on molecular orbitals, chemical quantum parameters, and adsorption characteristics show results that are in accordance with experimental studies. The frontier molecular orbital (FMO) plot shows the distribution of electron density in the HOMO-LUMO region as a predictor of the active site of the inhibitor molecule interacting with the steel surface. Quantum chemical parameters such as ionization potential (I), electron affinity (A), absolute electronegativity (χ), hardness (η), softness (σ), fraction of electrons transferred (ΔN), electrophilicity (ɷ), and electron backdonation (ΔEback-donation) was calculated to obtain a correlation between the electronic properties of the inhibitor molecule and the corrosion inhibition potential. The results of the calculation of the quantum chemical parameters show the reactivity of the inhibitor molecule which has a very good potential to interact and bind strongly to the steel surface. This has the potential to make the inhibitor molecule have a high inhibition efficiency. Chemical adsorption and/or physical adsorption by forming complex compounds between inhibitor molecules and the steel surface are corrosion inhibition mechanisms to protect steel from a corrosive environment.The development of future studies should be able to display the mechanism of interaction and inhibition of inhibitor molecules in more detail and systematically at the atomic level on several metal surfaces such as Fe, Al, Cu, and others.

Research paper thumbnail of Investigasi Ekstrak Bahan Alam Sebagai Inhibitor Korosi Hijau Pada Baja Menggunakan Teori Fungsional Kerapatan

Sebatik, 2022

Salah satu material yang ketahanannya terhadap korosi rendah adalah baja ketika berinteraksi deng... more 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 pe...

Research paper thumbnail of A First-Principle study of the O, O2, OH, and HO2 adsorption on the Fe (100) surface

Abstract: The purpose of this study was to investigate the interaction between O, O2, OH, and HO2... more Abstract: The purpose of this study was to investigate the interaction between O, O2, OH, and HO2 species on the Fe(100) surface using the DFT method. The DFT calculation provides specific information of the electronic structure of a molecules in ground state. The results show that the O atom preferred to be adsorbed on the hollow site, the OH species was adsorbed on the bridge site, while the O2 molecule was dissociated into two O atoms where both were adsorbed on the hollow site. Furthermore, when the H atom is attached to one of the O atoms of the dissociated O2 molecule, the OH species is formed which is adsorbed at the bridge site, and another O atom which remains adsorbed at the hollow site. This study can provide preliminary information on the adsorption mechanism of O, O2, OH, and HO2 species in explaining the electrochemical corrosion mechanism in our next work.Abstrak: Penelitian ini bertujuan untuk mengetahui interaksi antara spesi O, O2, OH, dan HO2 pada permukaan Fe(100...

Research paper thumbnail of Fisika praktis : cara mudah memahami fisika

Research paper thumbnail of Investigation of Syzygium Aromaticum and Nicotiana Tabacum Extracts as Corrosion Inhibitor

Science Tech: Jurnal Ilmu Pengetahuan dan Teknologi

In the present work, corrosion inhibition of Syzygium aromaticum and Nicotiana tabacum extract wa... more In the present work, corrosion inhibition of Syzygium aromaticum and Nicotiana tabacum extract was studied by DFT method. Frontier molecular orbitals (FMO) plots, quantum chemical descriptors such as highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), energy gap (ΔE), dipole moment (l) and partial charge analysis were calculated. The results obtained show that the eugenol as extract of Syzygium aromaticum and nicotine as extract of Nicotiana tabacum acts as an effective green corrosion inhibitor. In general, nicotine has a better potential as an green corrosion inhibitor than eugenol based on chemical reactivity. However, further studies are needed to gain insight into the mechanism of corrosion inhibition through the study of the adsorption of eugenol and nicotine molecules on metal surfaces.