Experimental and quantum chemical calculations on corrosion inhibition of mild steel by two furan derivatives

Two furan derivatives namely 5-methylfurfurylamine (MFA) and furfurylamine (FAM) were investigated as corrosion inhibitors for mild steel in 1 M HCl. The corrosion inhibition efficiencies (IE) were measured at 0.005M of the inhibitors using electrochemical potentiodynamic polarization measurements. The studied furan derivatives inhibit mild steel corrosion in acidic medium. The MFA shows higher inhibition efficiency of 84.77% compared to FAM of 41.75%. Quantum chemical calculations were performed at the B3LYP/6-311++G(d,p) level of density functional theory (DFT). Several quantum parameters were calculated to study the correlation between the molecular structures and the corrosion inhibition performance of the inhibitors. The MFA inhibitor shows higher HOMO energy, softness (S), fraction of electrons transferred (ΔN), and lower energy gap (ΔE) compared to the FAM. This result indicates a better corrosion inhibition performance of the MFA inhibitor. The results show that the calculated values of the quantum parameters using DFT calculations are consistent with the experimental findings

Adsorption Equlibrium Of Phenols From Aqueous Solution Using Modified Clay.

The adsorption equilibrium study of phenol, 3-chlorophenol and o-cresol from liquid-phase system was carried out at temperature of 30°C using modified montmorillonite

Adsorption Isotherms For Phenol Onto Activated Carbon.

This laboratory study investigated the effectiveness of two types of activated carbons (ACs), NORIT Granular Activated Carbon (NAC 1240) and NORIT Granular Activated Carbon D10 (NAC D10),for the removal of phenol from aqueous solutions. The study was carried out under batch mode at different initial concentrations (10-60mg/I) and at temperature of 30°C. The adsorption isotherm parameters for the Langmuir and Freundlich models were determined using the adsorption data. It was found that both the Langmuir and the Freundlich isotherms described well the adsorption behavior of phenol on NAC D10, while the Freundlich isotherm described very well the adsorption of phenol on NAC 1240

Adsorption Isotherm Of O-cresol From Aqueous Solution By Granular Activated Carbon.

Equilibrium adsorption isotherms of o-cresol from aqueous solution were investigated by a series of laboratory batch studies

Aqueous-Phase Adsorption Of Phenolic Compounds On Activated Carbon.

Laboratory batch studies were conducted on adsorption of phenol, 3-chlorophenol and o-cresol from aqueous solution by Norit Granular Activated Carbon (NAC 1240)

Single And Binary Adsorption Of Phenol And 3-Chlorophenol Onto Granular Activated Carbon.

Removal of phenol and 3-chlorophenol from single and bisolute diluted aqueous solution through adsorption on commercial granular activated carbon were experimentally investigated

Adsorption Kinetics Of Phenolic Compunds Onto Activated Carbon.

Aqueous-phase adsorption equilibrium and kinetic mechanism of phenol, 3-chlorophenol and o-cresol onto Norit Granular Activaied Carbon (NAC 1240) were studied in a batch system at temperature of 30oC,agitation speed of 120 rpm, initial phenol concentrations of 25-200 mg/l

[ENV03]Equilibrium Adsorption Study Of 3-Chlorophenol And O-cresol On Modified Mantmorillonite.

Phenolic compounds are commonly produced in wastewater streams generated by petrochemical, oil refineries, coal conversion,steel plant, paint and phenol-producing industries (Gallego et al., 2003; Aygunn et al.,2003)

Warpage Optimisation on the Moulded Part with Conformal Cooling Channels using Response Surface Methodology (RSM) and Glowworm Swarm Optimisation (GSO)

Today, there are many of optimisation method have been explored by previous researchers to find the appropriate processing parameters setting for the injection moulding process. From the previous researches, it has been proven that the optimisation work improved the quality of the moulded part. However, the application of optimisation work in conformal cooling channels still lacks. Therefore, in this study, the application of optimisation work to improve warpage of front panel housing with conformal cooling channels moulds have been explored. By choosing cooling time, coolant temperature, packing pressure and melt temperature as the variable parameters, design of experiment (DOE) has been defined by using the rotatable central composite design (CCD) approach. Response Surface Methodology (RSM) was performed to determine the mathematical model. The mathematical model then will be used in Glowworm Swarm Optimisation (GSO) method in order to obtain the optimal processing parameters setting which will optimise the warpage condition. Based on the results, cooling time is the most significant factor contributes to the warpage condition and warpage have optimised by 38.7% after optimisation using the proposed approach. This finding shows that the application of conformal cooling channels with optimisation work will produce better quality of the moulded part

Predictive model of 2-cyclohexylthiophene for corrosion inhibition in mild steel using computational method

Corrosion inhibition activity of 2-cyclohexylthiophene (2CHT) for mild steel in acidic media was predicted using QSAR tool. The model used two descriptors namely; Moran autocorrelation of lag4 weighted by mass (MATS4M) which explained the linearity and branching of the compounds and largest eigen values n3 of burden matrix weighted by mass (SPMAX3-Bh(m)) describes the nature and size of the neighboring atom. The modeling results revealed the potential of the compounds as a good corrosion inhibitor with percentage inhibition efficiency (%IE) of 76.5%. Quantum chemical calculation using DFT with 6-311G++(d,p) basis was used to evaluate the performance of the predicted compound as corrosion inhibitor by quantum chemical parameters such as EHUMO, ELUMO, Energy gap (Egap), hardness (?), softness (S), dipole moment (µ), electronegativity (X), electron affinity (A), ionization energy (I) and total energy (TE). The results obtained from quantum chemical parameters were found to be consistent with predicted result