Atomic-scale mechanism of effect of co-separation of elements at interface of ferrite and austenite on Cr-depleted zone of duplex stainless steel

Three-dimensional atom-probe tomography and first-principles calculation combined with density functional theory were used to study the effect of the co-segregation of different elements formed during the solidification process of S32205 duplex stainless steel on the Cr-depleted zone at the interface between ferrite and austenite.It was found that the co-segregation of different elements formed during the solidification process of duplex stainless steel can also form Cr-depleted zone at the interface between ferrite and austenite.Moreover,Mo,Si,B,C and P atoms promote co-segregation with Cr atoms,which promotes the formation of Cr-depleted zone at the interface between ferrite and austenite in duplex stainless steel.Mo and Si strongly promote the segregation of Cr at the interface between ferrite and austenite,thereby promoting the formation of Cr-depleted zone.B,C and P elements also promote the segregation of Cr element at the interface between ferrite and austenite and the formation of Cr-depleted zone,but their effect is weaker than that of Mo and Si elements.These conclusions provide a new theoretical basis for improving the intergranular corrosion performance of duplex stainless steel.

Effect of trace boron on corrosion resistance of rust layer of high-strength low-alloy steel in 3.5 wt.% NaCl solution

The influence mechanism of trace boron on the corrosion resistance of high-strength low-alloy(HSLA)steel in a simulated marine environment was studied by combining first-principles calculation with experiment.The effect of boron on the corrosion properties and corrosion morphology of the rust layer formed on the surface of HSLA steel was studied by means of corrosion weightlessness method,polarization curve,scanning electron microscopy(SEM)and X-ray diffraction(XRD)technique.The mass loss measurements and polarization curves revealed that the corrosion resistance of HSLA steel is improved by adding trace boron.XRD and SEM results show that the rust layer is produced byα-FeOOH(the main protective phase),Fe_(3)O_(4) andγ-FeOOH,and boron contributes to stability ofα-FeOOH.Based on the first-principles calculation,the solid solution of B atom in the corrosion product is beneficial to the fixation of Cl atom and to the reduction of the corrosion of Cl atom to the steel matrix.

Thermostable α-Diimine Nickel Complexes with Substituents on Acenaphthequinone-backbone for Ethylene Polymerization

In order to promote the thermostability of a-diimine nickel complex by ligand backbone structure,a series of α-diimine nickel complexes with substituents on acenaphthequinone backbone were synthesized and used as catalysts for ethylene polymerization.When the hydroxyethyl phenoxyl group was introduced to the acenaphthequinone-backbone,the thermal stability and activity of the catalyst could be significantly improved.The catalytic activity of complex C2[5-(4-(2-hydroxyethyl)phenoxyl)-N,N-bis(2,6-diisopropyl)acenaphthylene-1,2-diimine]nickel(Ⅱ)dibromide with isopropyl substituents on N-aryl reached 8.2×10^6g/(molNi·h)at 70℃and 2 MPa.The activity of[5-(4-(2-hydroxyethyl)phenoxyl)-N,N-bis(2,6-dibenzhydryl-4-menthylphenyl)acenaphthylene-1,2-diimine]nickel(Ⅱ)dibromide(C3)still maintained at 6.7×10^5 g/(molNi·h)at 120℃.Compared with C3 containing bulky dibenzhydryl substituents,the activity of C2 was sensitive to the change of the polymerization pressure.However,the polyethylenes obtained from complex C3 had lower branching density.Meanwhile,the molecular weight could reach 971 kg/mol,which is almost 5 times as much as that of the polyethylene obtained from complex C2.

Linear/branched Block Polyethylene Produced by a-Diimine Nickel(Ⅱ)Catalyst and Bis(phenoxy-imine)Zirconium Binary Catalyst System in the Presence of Diethyl Zinc

In order to promote development of linear/branched block polyethylenes based on new catalytic systems,we synthesized a novel a.dimine nickel(Ⅱ)complex with isopropyl substituents on ortho-N-aryl and hydroxymethyl phenyl substituents on para-Naryl structures.The activity of a-dimine nickl(Ⅱ)catalyst was 3.02x10^(6)g-mol_(ni)^(-1)·h^(-1) at 70℃,and resultant polyethylene possessed 135/1000C branches.The linear/branched block polyethylenes were synthesized from ethylene polymerization catalyzed by the a-dimine nicke(Ⅱ)complex/bis(phenoxy-imine)zirconium in the presence of diethyI zinc.With the addition of ZnEtz(from 0 to 400),the melting peak of resultant polyethylene changed from a single melting peak to bimodal melting peaks.The molecular weights of resultant polyethylene ranging from 26.8 kg/mol to 17.1 kg/mol and PDI values varying gradually from 24.4 to 15.2 were obtained vla adjusting ZnEt;equiv.and molar ratio of two catalysts.In addition,the branching degree of the polyethylene increased from 13/1000C to 56/1000 with the increase of the proportion of a dimine nickel(Ⅱ)catalyst.Using this binary catalyst system,the reaction temperature of chain shutting polymerization can be carried out at 70℃,which is more conducive to industrial application.