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Molecular dynamics (MD) simulation is a powerful tool to study the molecular level working mechanism of corrosion inhibitors in mitigating corrosion. In the past decades, MD simulation has emerged as an instrument to investigate the interactions at the interface between the inhibitor molecule and the metal surface. Combined with experimental measurement, theoretical examination from MD simulation delivers useful information on the adsorption ability and orientation of the molecule on the surface. It relates the microscopic characteristics to the macroscopic properties which enables researchers to develop high performance inhibitors. Although there has been vast growth in the number of studies that use molecular dynamic evaluation, there is still lack of comprehensive review specifically for corrosion inhibition of organic inhibitors on ferrous metal in acidic solution. Much uncertainty still exists on the approaches and steps in performing MD simulation for corrosion system. This paper reviews the basic principle of MD simulation along with methods, selection of parameters, expected result such as adsorption energy, binding energy and inhibitor orientation, and recent publications in corrosion inhibition studies.

Oil palm empty fruit bunch (OPEFB) extract was evaluated as corrosion inhibitor for mild steel corrosion in 1 M hydrochloric acid using weight loss technique. OPEFB extract was prepared at various concentrations of 0.2–1.0 v/v% for preliminary study. Central composite design (CCD)‐based optimization was engaged to analyze the factors and to maximize inhibition efficiency. The highest inhibition efficiency was estimated up to 99.95%. Fourier transform infrared (FTIR) and scanning electron microscopy (SEM) studies confirmed the presence of active compounds and deposition of extract on metal surface. Thermodynamic study revealed that the adsorption obeyed Langmuir isotherm and inhibition mechanism inclined toward physisorption.

This study investigates the mechanical, thermal, and chemical properties of basalt/woven glass fiber reinforced polymer (BGRP) hybrid polyester composites. The Fourier transform infrared spectroscopy (FTIR) was used to explore the chemical aspect, whereas the dynamic mechanical analysis (DMA) and thermomechanical analysis (TMA) were performed to determine the mechanical and thermal properties. The dynamic mechanical properties were evaluated in terms of the storage modulus, loss modulus, and damping factor. The FTIR results showed that incorporating single and hybrid fibers in the matrix did not change the chemical properties. The DMA findings revealed that the B7.5/G22.5 composite with 7.5 wt% of basalt fiber (B) and 22.5 wt% of glass fiber (G) exhibited the highest elastic and viscous properties, as it exhibited the higher storage modulus (8.04 × 109 MPa) and loss modulus (1.32 × 109 MPa) compared to the other samples. All the reinforced composites had better damping behavior than the neat matrix, but no further enhancement was obtained upon hybridization. The analysis also revealed that the B22.5/G7.5 composite with 22.5 wt% of basalt fiber and 7.5 wt% of glass fiber had the highest Tg at 70.80 °C, and increased by 15 °C compared to the neat matrix. TMA data suggested that the reinforced composites had relatively low dimensional stabilities than the neat matrix, particularly between 50 to 80 °C. Overall, the hybridization of basalt and glass fibers in unsaturated polyester formed composites with higher mechanical and thermal properties than single reinforced composites.

A comparison study in terms of inhibition performance between oil palm empty fruit bunch (OPEFB) extract and OPEFB powder against mild steel corrosion in 1 M hydrochloric acid was evaluated using weight loss technique and adsorption isotherms. OPEFB extract and powder were prepared at various concentrations of 0.2%, 0.4%, 0.6%, 0.8%, and 1.0% (v/v) and dosages of 0.2, 0.4, 0.6, 0.8, and 1.0 g, respectively. The results showed that OPEFB extract achieved higher inhibition efficiency (IE) at high concentration and short immersion time compared to OPEFB powder. Despite having lower IE, OPEFB powder seemed to have better behavior; 6.6% IE increment at longer immersion time, gradual release of active compounds and stronger adsorption capacity. Fourier transform infrared (FTIR) and energy-dispersive X-ray studies confirmed the presence of active compounds in OPEFB extract and powder that is responsible for inhibition. Thermodynamic study revealed that both OPEFB extract and powder obeyed Langmuir isotherm and worked through physical adsorption.Overall, OPEFB powder is concluded to have better performance as corrosion inhibitor compared with OPEFB extract. K E Y W O R D Sacid corrosion, acid solutions, corrosion inhibitor, mild steel

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This study aims to develop a controlled release oil palm empty fruit bunch hemicellulose (EFB-H) inhibitor tablet for mild steel in 1 M HCl. As plant extracts tend to deteriorate at longer immersion time, limiting its industrial applicability, we attempted to lengthen the inhibition time by forming a controlled release inhibitor tablet. Electrochemical methods (potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS)) were employed to investigate the efficiency and mechanism of the inhibition. An optimum dosage and immersion time was determined via Response Surface Methodology (RSM). EFB-H tablet was formulated using D-optimal mixture design, and its anticorrosion action at extended immersion time was compared with EFB-H powder. PDP measurement revealed that EFB-H is a mixed type inhibitor. RSM optimization unveiled that the optimum point for a maximum inhibition efficiency (87.11%) was at 0.33 g of EFB-H and 120 h of immersion time. Tablet T3 with EFB-H to gum Arabic to hydroxypropyl methylcellulose ratio of 66:0:34 portrayed the best tensile strength (0.243 MPa), disintegration time (152 min) and dissolution behavior. EFB-H tablet exhibited a longer-lasting inhibition effect than powder, which was 360 h as compared to 120 h for powder. Overall, EFB-H tablet has been successfully developed, and its enhanced effective inhibition time has been experimentally proven.