As a clean energy utilization device, full cell is gaining more and more attention. Proton exchange membrane (PEM) is a key component of the full cell. The commercial-sulfonated, tetrafluoroethylene-based fluoropolymer-copolymer (Nafion) membrane exhibits excellent proton conductivity under a fully humidified environment. However, it also has some disadvantages in practice, such as high fuel permeability, a complex synthesis process, and high cost. To overcome these disadvantages, a low-cost and novel membrane was developed. The sulfonated poly (ether ether ketone) (SPEEK) was selected as the base material of the proton exchange membrane. Sulfonated graphene (SG) was cross-linked with SPEEK through the elimination reaction of hydrogen bonds. It was found that the sulfonic acid groups and hydrophilic oxygen groups increased obviously in the resultant membrane. Compared with the pure SPEEK membrane, the SG-reinforced membrane exhibited better proton conductivity and methanol permeability prevention. The results indicate that the SG/SPEEK could be applied as a new proton exchange membrane in fuel cells.
1 January 2015 in Advances in Materials Science and Engineering
Quantum chemical calculations based on DFT method were performed on three nitrogen-bearing heterocyclic compounds used as corrosion inhibitors for the mild steel in acid media to determine the relationship between the molecular structure of inhibitors and inhibition efficiency. The structural parameters, such as energy and distribution of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), the charge distribution of the studied inhibitors, the absolute electronegativity (χ) values, and the fraction of electrons () transfer from inhibitors to mild steel were also calculated and correlated with inhibition efficiencies. The results showed that the inhibition efficiency of inhibitors increased with the increase in energy of HOMO and decrease in energy gap of frontier molecular orbital, and the areas containing N and O atoms are most possible sites for bonding the steel surface by donating electrons to the mild steel.
6 August 2017 in Corrosion Engineering, Science and Technology: The International Journal of Corrosion Processes and Corrosion Control
Quantum chemical calculations based on Hartree–Fock, AM1 and B3LYP functions were performed on the three Schiff-base compounds used as corrosion inhibitors for carbon steels in acid media. The quantum chemical calculations were conducted to determine the relationship between inhibition efficiency (IE) and the molecular structure of inhibitors. Several quantum chemical parameters, such as charge distribution, energy and distribution of the highest occupied molecular orbital (EHOMO) and lowest unoccupied molecular orbital (ELUMO), absolute electronegativity (χ) and the fraction of electrons (ΔN) transferred from inhibitors to the steel surface, were calculated and correlated with inhibition efficiencies. The results showed that the IE of Schiff-base compounds enhanced with increasing EHOMO or decreasing ELUMO; meanwhile, N atoms on Schiff-base molecules were the most probable sites for adsorption of inhibitor molecules on the metal surface. The inhibition mechanisms of three Schiff-base compounds were obtained from different calculation methods, and the results from each method are consistent.
As a new type of membrane material, graphene oxide (GO) can easily form sub-nanometer interlayer channels, which can effectively screen salt ions. The composite membrane and structure with a high water flux and good ion rejection rate were compared by the cross-linking of GO with three different diamine monomers: ethylenediamine (EDA), urea (UR), and p-phenylenediamine (PPD). X-ray photoelectron spectroscopy (XPS) results showed that unmodified GO mainly comprises π-π interactions and hydrogen bonds, but after crosslinking with diamine, both GO and mixed cellulose (MCE) membranes are chemically bonded to the diamine. The GO-UR/MCE membrane achieved a water flux similar to the original GO membrane, while the water flux of GO-PPD/MCE and GO-EDA/MCE dropped. X-ray diffraction results demonstrated that the covalent bond between GO and diamine can effectively inhibit the extension of d-spacing during the transition between dry and wet states. The separation performance of the GO-UR/MCE membrane was the best. GO-PPD/MCE had the largest contact angle and the worst hydrophilicity, but its water flux was still greater than GO-EDA/MCE. This result indicated that the introduction of different functional groups during the diamine monomer cross-linking of GO caused some changes in the performance structure of the membrane.
High-performance supercapacitor (SC) electrodes typically require excellent rate capabilities, long cycle life, and high energy densities. In this work, ethylenediamine (EDA) functionalized graphene hydrogels (FGHs) with a high capacitor performance were prepared from graphene oxide (GO) dispersions using a two-step hydrothermal method. In addition, we used a very small amount of EDA to achieve the partial reduction and functional modification of GO, and the synthesized FGH-4 binder-free electrodes exhibited a high specific capacitance of −240 F/g at 1 A/g. We also successfully fabricated a symmetric SC device based on the FGH-4 electrode, with a wide voltage window of 3.0 V. More importantly, the as-assembled symmetric SC delivered a high specific energy of 39 Wh/kg at a specific power of 749 W/kg, while still maintaining its superior cycle life (retaining 88.09% of its initial capacitance after 10,000 cycles).
The galvanic corrosion behavior of three metal alloys commonly used in water desalination plants was investigated using coupled multielectrode arrays consisting of aluminum-brass (HAl77-2), titanium alloy (TA2), and 316L stainless steel (316L SS). The three electrode types were coupled galvanically and arranged in different geometric configurations. Their corrosion behavior was characterized as a function of the chloride concentration. The potential and current distributions of the three-electrode coupling systems display electrochemical inhomogeneity. Generally, the aluminum-brass wires are anodic versus the titanium alloy and stainless steel. The titanium alloy acts as a primary cathode, and the 316L SS acts as a secondary cathode. The corrosion rate of aluminum-brass depends on the concentration of chloride ion, with a maximum corrosion rate at a chloride concentration of 2.3 wt %. In terms of geometrical arrangements, when the anodic HAl77-2 wires are located on the edge and are connected to the 316L SS wires in the coupling system, the main anodic area enlarges, especially in the area adjacent to the 316L SS wires. When the HAl77-2 wires are located between (in the middle of) the two other types of wires, the corrosion rates are higher than the corrosion rates observed from the other two geometrical arrangements.