The molecular behavior of polyurethane(PU)coating materials during the surface adsorption of poly-α-olefin as a drag reducing polymer was explored by a molecular dynamics simulation.Three different PU capsule wall ma...The molecular behavior of polyurethane(PU)coating materials during the surface adsorption of poly-α-olefin as a drag reducing polymer was explored by a molecular dynamics simulation.Three different PU capsule wall materials were synthesized using two reaction monomers,and a poly-α-olefin/PU drag reducer microcapsule was prepared based on interface polymerization.The structure,morphology,thermal stability,compressive strength,and drag reduction performance of the microcapsules were characterized and compared.The results showed that a non-bonding interaction induced the adsorption of the PU coating material,poly-α-olefin and PU then fused at the interface,and the PU coating material was embedded into the inner grooves of poly-α-olefin in the form of a local mosaic,thereby forming a stable core–shell structure.The morphological characterization indicated that PU and poly-α-olefin could form microcapsule structures.The thermal decomposition temperature of the microcapsule was dependent on the type of capsule wall material.The microcapsule structure had a slight effect on poly-α-olefin drag reduction.The system enabled poly-α-olefin to exist in powdered particles through microcapsulation,and had a good dispersion effect that facilitated storage and transport processes.The method effectively inhibited the accumulation and bonding of poly-α-olefin at room temperature.展开更多
The production of poly-α-olefins(PAOs)has attracted attention due to their excellent viscosity-temperature dependence,wear characteristics,oxidative properties,and high thermal stability.In this study,indene extracte...The production of poly-α-olefins(PAOs)has attracted attention due to their excellent viscosity-temperature dependence,wear characteristics,oxidative properties,and high thermal stability.In this study,indene extracted during coal tar refining was used as a raw material to synthesize a bis(indenyl)zirconium dichloride metallocene catalyst.A PAO with low viscosity and a high viscosity index was produced via the oligomerization of 1-decene in the presence of both the prepared metallocene and a methylaluminoxane(MAO)co-catalyst.Notably,the effects of different synthesis reaction parameters,such as Al:Zr ratio,amount of catalyst,and reaction temperature,on the conversion ratio and product selectivity were investigated in detail.The produced PAO was thoroughly characterized using Fourier-transform infrared,^(13)C,and^(1)H nuclear magnetic resonance spectroscopies;gas chromatography;and viscosity measurements.At 70℃,the metallocene catalyst created more stable active sites.In addition,the alkylation effect of MAO was noticeable.Interestingly,the obtained catalysis results demonstrated that a high conversion ratio of~93%was achieved at a low reaction temperature of 70℃,with a catalyst dosage of 0.0848 mmol and Al:Zr ratio of 8.48mmol:0.0848mmol.Moreover,under these optimal conditions,the kinematic viscosity of PAO was 4.25 mm2/s at 100℃,and the viscosity index was 139,indicating good viscosity-temperature properties.展开更多
Lubrication failure accompanying with blackening phenomenon significantly reduces the long-running operational reliability of porous polymide(PPI)lubricated with poly-α-olefin(PAO)oil.Here,the effects of lubrication ...Lubrication failure accompanying with blackening phenomenon significantly reduces the long-running operational reliability of porous polymide(PPI)lubricated with poly-α-olefin(PAO)oil.Here,the effects of lubrication condition and counter-surface chemistry on the blackening failure of PAO impregnated PPI were studied through the comparison of the tribological tests against GCr15 steel ball and Al_(2)O_(3)ceramic ball with and without PAO oil lubrication.Black products were found to be formed on the PAO impregnated PPI surface slid against steel ball or Al_(2)O_(3)ball added with iron nano-particles,but be absent under the conditions without iron or PAO oil.Further analysis indicated that the iron-catalyzed splitting of PAO oil into small molecule alkanes and following the formation of black organic matter should be mainly responsible for the blackening phenomenon.Molecular dynamic(MD)simulations demonstrated that the iron facilitated the separation of hydrogen atom and the following broken of C–C bonds in PAO molecules,final resulting in the splitting of PAO oil.展开更多
Poly-α-olefin(PAO)synthetic oil,a regular long-chain alkane produced from the catalytic polymerization ofα-olefin,is a high-quality lubricating base oil with huge market potential.In this study,PAO synthesis based o...Poly-α-olefin(PAO)synthetic oil,a regular long-chain alkane produced from the catalytic polymerization ofα-olefin,is a high-quality lubricating base oil with huge market potential.In this study,PAO synthesis based on the catalytic polymerization of 1-decene using the ionic liquid(IL)[Bmim]_(x)[C_(2)H_(5)NH_(3)]_(1-x)[Al_(2)Cl_(7)]as the catalyst was studied.Compared with the conventional catalyst[Bmim][Al_(2)Cl_(7)],the obtained PAO product incorporates more trimers and tetramers of 1-decene and contains few double-bond end groups,demonstrating a better catalytic system for PAO-10 production.The apparent polymerization kinetics of 1-decene in this catalytic system were studied based on the 1-decene concentration,catalyst concentration,and reaction temperature.An apparent kinetic equation for PAO formation was determined,providing a promising strategy for PAO production using 1-decene polymerization.展开更多
The active catalysts of the BF_(3)/n-C_(4)H_(9)OH-catalyzed 1-decene oligomerization reaction,as well as the distribution of the reaction products,was investigated by molecular simulation.The calculation results show ...The active catalysts of the BF_(3)/n-C_(4)H_(9)OH-catalyzed 1-decene oligomerization reaction,as well as the distribution of the reaction products,was investigated by molecular simulation.The calculation results show that(BF_(3))_(2)·n-C_(4)H_(9)OH catalyzes the 1-decene oligomerization reaction with higher activity compared to BF_(3)·n-C_(4)H_(9)OH,which is the most catalytically active substance in the BF_(3)/n-C_(4)H_(9)OH catalyst system.The reaction energy barriers and heats of reaction of chain initiation,chain growth,and chain termination in BF_(3)/n-C_(4)H_(9)OH-catalyzed 1-decene oligomerization are calculated to reveal the product distribution.The calculation results show that the contents of the oligomerization reaction products in descending order are trimer,tetramer,pentamer,and dimer.The calculated results were consistent with the experimentally obtained product distribution.展开更多
Poly-α-olefin(PAO) synthetic oil is the base oil of high-quality lubricants, and has a huge market potential.We illustrate PAO synthesis by catalytic polymerization of 1-decene with a boron trifluoride(BF_3)/alcohol ...Poly-α-olefin(PAO) synthetic oil is the base oil of high-quality lubricants, and has a huge market potential.We illustrate PAO synthesis by catalytic polymerization of 1-decene with a boron trifluoride(BF_3)/alcohol system. Gas chromatography–mass spectrometry, proton nuclear magnetic resonance and ^(13) C nuclear magnetic resonance analysis confirmed dimer, trimer and tetramer structures of PAO. Each component contained branched chains with a 1,2 insertion of a head-to-tail link; a 2,1 insertion of a tail-to-tail link and a methyl-containing linked structure. At a low conversion rate, the reaction rate was related directly with the reaction temperature and the catalyst/1-decene concentration. An apparent kinetic equation for PAO formation was determined during 1-decene polymerization.展开更多
基金This paper is supported by the Shandong Provincial Key Research and Development Program(Project No.2020CXGC010403)the Key Projects of New and Old Kinetic Energy Conversion(No.[2020]1220)the scientific research project of SINOPEC Corporation(CLY19005).
文摘The molecular behavior of polyurethane(PU)coating materials during the surface adsorption of poly-α-olefin as a drag reducing polymer was explored by a molecular dynamics simulation.Three different PU capsule wall materials were synthesized using two reaction monomers,and a poly-α-olefin/PU drag reducer microcapsule was prepared based on interface polymerization.The structure,morphology,thermal stability,compressive strength,and drag reduction performance of the microcapsules were characterized and compared.The results showed that a non-bonding interaction induced the adsorption of the PU coating material,poly-α-olefin and PU then fused at the interface,and the PU coating material was embedded into the inner grooves of poly-α-olefin in the form of a local mosaic,thereby forming a stable core–shell structure.The morphological characterization indicated that PU and poly-α-olefin could form microcapsule structures.The thermal decomposition temperature of the microcapsule was dependent on the type of capsule wall material.The microcapsule structure had a slight effect on poly-α-olefin drag reduction.The system enabled poly-α-olefin to exist in powdered particles through microcapsulation,and had a good dispersion effect that facilitated storage and transport processes.The method effectively inhibited the accumulation and bonding of poly-α-olefin at room temperature.
基金supported by the Chinese Academy of Sciences Strategic Pilot Science and Technology Special (Class A)(XDA21020000)the National Natural Science Foundation of China (22072175,21673272)support from the Ulam program,awarded by the Polish National Agency for Academic Exchange (NAWA),Poland,under project No.PPN/ULM/2020/1/00006/DEC/1
文摘The production of poly-α-olefins(PAOs)has attracted attention due to their excellent viscosity-temperature dependence,wear characteristics,oxidative properties,and high thermal stability.In this study,indene extracted during coal tar refining was used as a raw material to synthesize a bis(indenyl)zirconium dichloride metallocene catalyst.A PAO with low viscosity and a high viscosity index was produced via the oligomerization of 1-decene in the presence of both the prepared metallocene and a methylaluminoxane(MAO)co-catalyst.Notably,the effects of different synthesis reaction parameters,such as Al:Zr ratio,amount of catalyst,and reaction temperature,on the conversion ratio and product selectivity were investigated in detail.The produced PAO was thoroughly characterized using Fourier-transform infrared,^(13)C,and^(1)H nuclear magnetic resonance spectroscopies;gas chromatography;and viscosity measurements.At 70℃,the metallocene catalyst created more stable active sites.In addition,the alkylation effect of MAO was noticeable.Interestingly,the obtained catalysis results demonstrated that a high conversion ratio of~93%was achieved at a low reaction temperature of 70℃,with a catalyst dosage of 0.0848 mmol and Al:Zr ratio of 8.48mmol:0.0848mmol.Moreover,under these optimal conditions,the kinematic viscosity of PAO was 4.25 mm2/s at 100℃,and the viscosity index was 139,indicating good viscosity-temperature properties.
基金supported by the National Natural Science Foundation of China(Nos.52350411 and 52122507)the National Key R&D Program of China(No.2023YFB3405500)+1 种基金Sichuan Science and Technology Program(Nos.2023NSFSC1988 and 23NSFTD0030)the Independent Project of State Key Laboratory of Traction Power(No.2023TPL-T04).
文摘Lubrication failure accompanying with blackening phenomenon significantly reduces the long-running operational reliability of porous polymide(PPI)lubricated with poly-α-olefin(PAO)oil.Here,the effects of lubrication condition and counter-surface chemistry on the blackening failure of PAO impregnated PPI were studied through the comparison of the tribological tests against GCr15 steel ball and Al_(2)O_(3)ceramic ball with and without PAO oil lubrication.Black products were found to be formed on the PAO impregnated PPI surface slid against steel ball or Al_(2)O_(3)ball added with iron nano-particles,but be absent under the conditions without iron or PAO oil.Further analysis indicated that the iron-catalyzed splitting of PAO oil into small molecule alkanes and following the formation of black organic matter should be mainly responsible for the blackening phenomenon.Molecular dynamic(MD)simulations demonstrated that the iron facilitated the separation of hydrogen atom and the following broken of C–C bonds in PAO molecules,final resulting in the splitting of PAO oil.
基金supported by the Key Research and Development Program of Ningxia Autonomous Region (No.2023BFE01001)Tianjin Science and Technology Program (Nos.22ZYJDSS00060+2 种基金22YDTPJC00920)Program for Tianjin Innovative Research Team in Universities (No.TD13-5031)Tianjin 131 Research Team of Innovative Talents。
文摘Poly-α-olefin(PAO)synthetic oil,a regular long-chain alkane produced from the catalytic polymerization ofα-olefin,is a high-quality lubricating base oil with huge market potential.In this study,PAO synthesis based on the catalytic polymerization of 1-decene using the ionic liquid(IL)[Bmim]_(x)[C_(2)H_(5)NH_(3)]_(1-x)[Al_(2)Cl_(7)]as the catalyst was studied.Compared with the conventional catalyst[Bmim][Al_(2)Cl_(7)],the obtained PAO product incorporates more trimers and tetramers of 1-decene and contains few double-bond end groups,demonstrating a better catalytic system for PAO-10 production.The apparent polymerization kinetics of 1-decene in this catalytic system were studied based on the 1-decene concentration,catalyst concentration,and reaction temperature.An apparent kinetic equation for PAO formation was determined,providing a promising strategy for PAO production using 1-decene polymerization.
基金This work was financially supported by China Petrochemical Corporation Project(120055).
文摘The active catalysts of the BF_(3)/n-C_(4)H_(9)OH-catalyzed 1-decene oligomerization reaction,as well as the distribution of the reaction products,was investigated by molecular simulation.The calculation results show that(BF_(3))_(2)·n-C_(4)H_(9)OH catalyzes the 1-decene oligomerization reaction with higher activity compared to BF_(3)·n-C_(4)H_(9)OH,which is the most catalytically active substance in the BF_(3)/n-C_(4)H_(9)OH catalyst system.The reaction energy barriers and heats of reaction of chain initiation,chain growth,and chain termination in BF_(3)/n-C_(4)H_(9)OH-catalyzed 1-decene oligomerization are calculated to reveal the product distribution.The calculation results show that the contents of the oligomerization reaction products in descending order are trimer,tetramer,pentamer,and dimer.The calculated results were consistent with the experimentally obtained product distribution.
基金supported by the Natural Science Foundation of China(21576048)the PetroChina Innovation Foundation(2014D-5006-0503)
文摘Poly-α-olefin(PAO) synthetic oil is the base oil of high-quality lubricants, and has a huge market potential.We illustrate PAO synthesis by catalytic polymerization of 1-decene with a boron trifluoride(BF_3)/alcohol system. Gas chromatography–mass spectrometry, proton nuclear magnetic resonance and ^(13) C nuclear magnetic resonance analysis confirmed dimer, trimer and tetramer structures of PAO. Each component contained branched chains with a 1,2 insertion of a head-to-tail link; a 2,1 insertion of a tail-to-tail link and a methyl-containing linked structure. At a low conversion rate, the reaction rate was related directly with the reaction temperature and the catalyst/1-decene concentration. An apparent kinetic equation for PAO formation was determined during 1-decene polymerization.