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methanol-to-propylene process: Perspective of the most important catalysts and their behavior

Chinese Journal of Catalysis 2016年第3期37卷 325-339页

作者： m.khanmohammadi Sh.Amani A.Bagheri Garmarudi A.Niaeib 霍梅尼国际大学科学学院化学系大不里士大学化工与应用化学系

The methanol-to-propylene （mTP） process is a route of methanol conversion to hydrocarbons, which is in high demand because of limited oil resources. The present paper discusses the effect of catalyst structure on the mTP process conditions, and the role of different zeolite factors, such as acidity, crystal size, mesoporosity, and topology, on the activity and selectivity of the mTP reaction.

关键词： methanol-to-propylene process ZSm-5 zeolite Catalysis

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Ionic liquids as boundary additives in water-based and PAO lubricants

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Friction 2022年第9期10卷 1405-1423页

作者： Wahyu WIJANARKO Hamid khanmohammadi Nuria ESPALLARGAS Norwegian Tribology Center Department of Mechanical and Industrial EngineeringNorwegian University of Science and Technology(NTNU)Trondheim 7491Norway Department of mechanical Engineering Sepuluh Nopember Institute of Technology(ITS)Surabaya 6011Indonesia

Ionic liquids have been widely discussed as potential lubricants,however,their properties make them also very good potential candidates as lubricant additives(e.g.,friction modifiers and anti-wear).In this work,the tribological study of two ionic liquids(tributylmethylphosphonium dimethylphosphate(PP),and 1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate(BmP))as lubricant additives has been performed on stainless steel(AISI 316L)exposed to polar(water-glycol)and non-polar(polyalphaolefin)based lubricants under boundary lubricating *** performance of these ionic liquids as lubricant additives has been compared to a classical organic friction modifier(dodecanoic acid(C12)).The water–glycol lubricant formulated with the two ionic liquids showed friction values higher than the same base lubricant formulated with dodecanoic acid,however,opposite results were observed for polyalphaolefin(PAO).A detailed surface chemical analysis using X-ray photoelectron spectroscopy(XPS)revealed differences in the passive/tribofilm thickness and chemical composition of the stainless steel surface tested in all *** the case of the polar lubricant additivated with ionic liquids,the tribochemical reaction accompanied by a tribocorrosion process led to the formation of an unstable passive/tribofilm resulting in high friction and ***,in the absence of tribocorrosion process(polyalphaolefin base lubricant),the tribochemical reaction led to the formation of a stable passive/tribofilm resulting in low friction and wear.A detailed surface and subsurface investigation of the microstructure using scanning electron microscopy equipped with a focused ion beam(SEm-FIB)showed that high wear rates resulted in thicker recrystallization region under the wear track *** all lubricant additives tested in this work,BmP in non-polar lubricant media showed the best tribological performance.

关键词： water lubricant polyalphaolefin(PAO) ionic liquids tribochemistry tribocorrosion tribofilm

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Theoretical Study of Stability and Electronic Characteristics in Various Complexes of Psoralen as an Anticancer Drug in Gas Phase,Water and CCl_(4) Solutions

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Chemical Research in Chinese Universities 2022年第6期38卷 1414-1424页

作者： mOHAmmADI marziyeh mAHINIAN maryam.khanmohammadi Azadeh Department of Chemistry Faculty of ScienceVali-e-Asr University of RafsanjanP.O.Box:77176RafsanjanIran Department of Chemistry Payame Noor UniversityP.O.Box:19395-3697TehranIran

The present research employs density functional theory(DFT)computations to analyze the structure and energy of complexes formed by psoralen drug with alkali(Li^(+),Na^(+),K^(+))and alkaline earth(Be^(2+),mg^(2+),Ca^(2+))metal *** computations are conducted on m06-2X/aug-cc-pVTZ level of theory in the gas phase and *** Atoms in molecules(AIm)and natural bond orbital(NBO)analyses are applied to evaluating the characterization of bonds and the atomic charge distribution,*** results show that the absolute values of binding energies decrease with going from the gas phase to the ***,the considered complexes in the water(as a polar solvent)are more stable than the CCl_(4)(as a non-polar solvent).The DFT based chemical reactivity indices,such as molecular orbital energies,chemical potential,hardness and softness are also *** outcomes show that the considered complexes have high chemical stability and low reactivity from the gas phase to the ***,charge density distributions and chemical reactive sites of a typical complex explored in this study are obtained by molecular electrostatic potential surface.

关键词： Psoralen Cation-π Density function theory(DFT) Atoms in molecules(AIm) Natural bond orbital(NBO)

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microstructural, corrosion and mechanical behavior of two-step plasma electrolyte oxidation ceramic coatings

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Transactions of Nonferrous metals Society of China 2017年第10期27卷 2225-2233页

作者： H.khanmohammadi S.R.ALLAHKARAm N.TOWHIDI mechanically Assisted Corrosion Laboratory School of Metallurgy and Materials EngineeringCollege of Engineering University of Tehran P. O. Box 11155-4563 Tehran Iran

Plasma electrolytic oxidation(PEO)is considered as a cost effective and environmentally friendly surface treatmentprocess for improving surface properties of light *** formation of ceramic coatings on Ti6Al4V alloy was reported bytwo-step PEO process and its structural,electrochemical and mechanical properties with the coated samples were compared byone-step PEO process in an alkaline *** structural properties were studied using field-emission scanning microscope(FESEm)and X-ray diffraction(XRD).Electrochemical studies were carried out using linear polarization method and in additionmechanical behaviors were investigated by means of Knoop microhardness and nanoindentation *** showed that thesecond step process resulted in an increase of both porosity percentage and average pore diameter on the *** two-stepprocess resulted in a small increase of thickness from about12.5to13.0μ*** test results showed that applying thesecond step resulted in the decrease of both polarization resistance from1800.2to412.5kΩ/cm2and protection efficiency from97.8%to90.5%.Finally,the nanoindentation results indicated that the PEO coatings became softer but more ductile after applyingthe second processing step in acidic electrolyte.

关键词： plasma electrolytic oxidation microstructure corrosion nanoindentation

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