Considering the interactions between fluid molecules and pore walls,variations in critical properties,capillary forces,and the influence of the adsorbed phase,this study investigates the phase behavior of the CO_(2)-s...Considering the interactions between fluid molecules and pore walls,variations in critical properties,capillary forces,and the influence of the adsorbed phase,this study investigates the phase behavior of the CO_(2)-shale oil within nanopores by utilizing a modified Peng-Robinson(PR)equation of state alongside a three-phase(gas-liquid-adsorbed)equilibrium calculation method.The results reveal that nano-confinement effects of the pores lead to a decrease in both critical temperature and critical pressure of fluids as pore size diminishes.Specifically,CO_(2) acts to inhibit the reduction of the critical temperature of the system while promoting the decrease in critical pressure.Furthermore,an increase in the mole fraction of CO_(2) causes the critical point of the system to shift leftward and reduces the area of the phase envelope.In the shale reservoirs of Block A in Gulong of the Daqing Oilfield,China,pronounced confinement effects are observed.At a pore diameter of 10 nm,reservoir fluids progressively exhibit characteristics typical of condensate gas reservoirs.Notably,the CO_(2) content in liquid in 10 nm pores increases by 20.0%compared to that in 100 nm pores,while the CO_(2) content in gas decreases by 10.8%.These findings indicate that confinement effects enhance CO_(2) mass transfer within nanopores,thereby facilitating CO_(2) sequestration and improving microscopic oil recovery.展开更多
Triton Xs （TXs） surfactants/cosurfactant/water/oil （toluene） microemulsion systems for enhancing toluene solubilization were proposed and its potential was investigated for toluene removal from gas stream. The res...Triton Xs （TXs） surfactants/cosurfactant/water/oil （toluene） microemulsion systems for enhancing toluene solubilization were proposed and its potential was investigated for toluene removal from gas stream. The results indicated that TX-100 was superior to other TXs surfactants in removing toluene without cosurfactant. The efficiency of cosurfactants for improving toluene solubilization capacity follows the order： amine 〉 alcohol 〉 acid. According to the factor analysis, the linear cosurfactants are better than the branched ones. The effects of hydrophile-lipophile balance （HLB）, salt （NaCl） concentration and temperature on the formation of microemulsion system were also discussed. The results suggested that the optimum value of HLB was 15, the effect of NaCl concentration on the system was inconspicuous and the lower temperature enhanced the solubilization capacity. Nonionic surfactant-based microemulsions had a significant absorption enhancement for toluene, indicated by as much as 82.72% of toluene in phase composition diagram, which will have a great prospect in air pollution treatment.展开更多
Among complex oxides containing rare earth and manganese BaLn_2Mn_2O_7 (Ln=rare earth) with the layered perovskite type and Ln_2(Mn, M)O_7 with pyrochlore-related structure were studied since these compounds show many...Among complex oxides containing rare earth and manganese BaLn_2Mn_2O_7 (Ln=rare earth) with the layered perovskite type and Ln_2(Mn, M)O_7 with pyrochlore-related structure were studied since these compounds show many kinds of phases and unique phase transitions. In BaLn_2Mn_2O_7 there appear many phases, depending on the synthetic conditions for each rare earth. The tetragonal phase of so-called Ruddlesden-Popper type is the fundamental structure and many kinds of deformed modification of this structure are obtained. For BaEu_2Mn_2O_7 at least five phases have been identified from the results of X-ray diffraction analysis with the space group P4_2/mnm, Fmmm, Immm and A2/m in addition to the fundamental tetragonal I4/mmm phase. In the pyrochlore-related type compounds, Ln_2Mn_(2-x)M_xO_7 (M=Ta, Nb, W etc), there also appear several phases with different crystal structures. With regard to every rare earth, Ln_2MnTaO_7 phase is stable only for excess Ta and can be obtained under high oxygen partial pressure process. This group has trigonal structure with zirkelite type (P3_121 space group). On the other hand Ln_2Mn_(2/3)Nb_(4/3)O_7 phase has monoclinic (C2/c space group) and zirconolite type structure. All of these structural models have the fundamental structure based on HTB (hexagonal tungsten bronze) layers formed by the arrangement of oxygen octahedra.展开更多
Four new organosilane compounds containing cholesteryl group were synthesized by esterification of 3,3,5,5-tetramethyl-3,5-disila-4-oxa-cyclohexane-1-carboxylic acid and ω-hydroxyalkyl, cholesteryl carbonate in the p...Four new organosilane compounds containing cholesteryl group were synthesized by esterification of 3,3,5,5-tetramethyl-3,5-disila-4-oxa-cyclohexane-1-carboxylic acid and ω-hydroxyalkyl, cholesteryl carbonate in the presence of DCC and DMAP. Their structures were characterized by1H-NMR, IR and elemental analysis. Their phase behaviors were investigated by differential scanning calorimetry (DSC) and polarized microscopy. Results showed that these four organosilane compounds were all liquid crystalline and longer spacer was advantageous to orientation of organosilane heterocycle and cholesteryl group.展开更多
An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperat...An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature （pVT） and phase equilibrium of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The mo- lecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular parameters of homologous substances, subsequently p VT and vapor-liquid equilibria vapor-liquid equilibria （VLE） can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.展开更多
A series of fluorinated phosphatidylcholine polyurethane macromolecular additives were synthesized by solution polymerization using methylenebis（phylene isocyanates） （MDI） and 1,4-butanediol （BDO） as hard segmen...A series of fluorinated phosphatidylcholine polyurethane macromolecular additives were synthesized by solution polymerization using methylenebis（phylene isocyanates） （MDI） and 1,4-butanediol （BDO） as hard segments, a new phoshporycholine, 2-（2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-（2-hydroxyethoxy）decyloxy） ethyl phosphorycholine （HDFOPC） as end-capper, and four polydiols, poly（tetramethylene glycol）s （PTMG）, polydimethylsiloxane （PDMS）, poly（1,6-hexyl-1,5-pentylcarbonate） （PHPC） and poly（propylene glycol） （PPG） as soft segments, respectively. The chemical structures of the synthesized polyurethanes were characterized by 1H-NMR and FTIR. DSC and DMA were employed to study the phase behavior of these novel polyurethanes due to their great influences on the surface properties, and hence their interactions with bio-systems. The results showed that phase separation of the fluorinated phosphatidylcholine end-capped polyurethanes was increased in comparison with that of normal polyurethanes. The effect of fluorinated phosphatidylcholine end-capped groups on the phase behavior was further demonstrated by analyzing the degree of hydrogen-bonding between hard and soft segments.展开更多
Phase behavior of normal decane-dodecane （n-CloH2/-CI2H26, Clo-C12） system confined in SBA-15 （Santa Barbara Amorphous, pore diameters 3.8, 7.8, and 17.2 nm） has been studied by using differential scanning calorim...Phase behavior of normal decane-dodecane （n-CloH2/-CI2H26, Clo-C12） system confined in SBA-15 （Santa Barbara Amorphous, pore diameters 3.8, 7.8, and 17.2 nm） has been studied by using differential scanning calorimetry. It has been found solid-liquid phase diagram of the C10-C12/SBA-15 system is composed of a straight line （3.8 nm）, a curve （7.8 nm） and a loop line （17.2 nm）. The growth of the phase diagram clearly shows the size effect on phase behavior of binary alkanes. Phase behavior has been compared among the systems C10H22-CI2H26]SBA-15, C12H26-C14H3o/SBA-15 and C14H30-C16H34/SBA-15.展开更多
Extractive distillation was investigated for separation of the minimum azeotrope of n-propanol/water, via the Aspen Plus simulation platform. Experimental data of n-propanol/water, which could pass the thermodynamic c...Extractive distillation was investigated for separation of the minimum azeotrope of n-propanol/water, via the Aspen Plus simulation platform. Experimental data of n-propanol/water, which could pass the thermodynamic consistency test, were regressed to get suitable binary interaction parameters(BIPs) by the UNIQUAC thermodynamic model. The azeotrope system was heterogeneous in the simulation with built-in BIPs, which was contrary to the experimental data. The study focused on the effect of thermodynamic parameters on the prediction of phase behavior, and process design of extractive distillation. N-methyl-2-pyrrolidone(NMP) and ethylene glycol were used as solvents to implement the separation. Processes with built-in and regressed BIPs were explored,based on the minimum total annual cost(TAC). There were significant differences in the phase behavior simulation using different thermodynamic parameters, which showed the importance of BIPs in the design and optimization of extractive distillation.展开更多
We use a Monte Carlo method to study the phase and interracial behaviors of A-b-B diblocks in a blend of homopolymers, A and B, which are confined between two asymmetric hard and impenetrable walls. Our results show t...We use a Monte Carlo method to study the phase and interracial behaviors of A-b-B diblocks in a blend of homopolymers, A and B, which are confined between two asymmetric hard and impenetrable walls. Our results show that, when the interaction strength is weak, the block copolymers are uniformly distributed in the ternary mixtures under considered concentrations. Under strong interaction strength, distribution region of the block copolymers changes from a single smooth interface to a curved interface or multi-layer interface in the ternary mixtures. Furthermore, our findings show that with increasing volume fraction of A-b-B diblock copolymer （φc）, copolymer profiles broaden while φc ≥ 0.4, a lamellar phase is formed and by further increasing φc, more thinner layers are observed. Moreover, the results show that, with the increase of φc, the phase interface first gradually transforms from plane to a curved surface rather than micelle or lamellar phase while with the increase of the interaction between A and B segments （CAB）, the copolymer chains not only get stretched in the direction perpendicular to the interface, but also are oriented. The simulations also reveal that the difference between symmetric and asymmetric copolymers is negligible in statistics if the lengths of two blocks are comparable.展开更多
Phase behavior, thermal stability and rheological properties of the blends of poly(phthalazinone ether ketone) (PPEK) with bisphenol-A polycarbonate (PC) prepared by solution coprecipitation were studied using differe...Phase behavior, thermal stability and rheological properties of the blends of poly(phthalazinone ether ketone) (PPEK) with bisphenol-A polycarbonate (PC) prepared by solution coprecipitation were studied using differential scanning calorimetry (DSC), Frourier-Transform IR spectroscopy (FT-IR), thermogravimetric analysis (TGA) and capillary rheometer. The DSC results indicated that PPEK/PC blends are almost immiscible in full compositions. FT-IR investigation showed that there were no apparent specific interactions between the constituent polymers. The blends keep excellent thermal stability and the addition of PC degrades the thermal stability of blends to some degree. The thermal degradation processes of the blends are much similar to that of PC. The studies on rheological properties of blends show that blending PPEK with PC is beneficial to reducing the melt viscosity and improving the appearance of PPEK.展开更多
Rheological measurement has been a preferred approach to the characterization of the structure and phase behaviors for multi-component/multi-phase polymer systems, due to its sensitive response to the changes of struc...Rheological measurement has been a preferred approach to the characterization of the structure and phase behaviors for multi-component/multi-phase polymer systems, due to its sensitive response to the changes of structure for these heterogeneous polymers. In the present article, recent progresses in the studies on rheology for heterogeneous polymer systems including phase-separated polymeric blends and block copolymers are reviewed, mainly depending on the results by the authors＇ research group. By means of rheological measurements, not only some new fingerprints responsible for the evolution of morphology and structure concerning these polymer systems are obtained, also the corresponding results are significant for design and preparation of novel polymeric structural materials and functional materials.展开更多
Demixing and colloidal crystallization in the mixture of charge stabilized colloidal poly（methyl methacrylate） particles and soluble poly（ethylene oxide） were investigated by means of synchrotron small-angle X-ray...Demixing and colloidal crystallization in the mixture of charge stabilized colloidal poly（methyl methacrylate） particles and soluble poly（ethylene oxide） were investigated by means of synchrotron small-angle X-ray scattering （SAXS） technique. Phase diagram of the mixture was obtained based on visual inspection and SAXS results. The phase behavior is determined as a function of the concentration of the polymer as well as the volume fraction of the colloidal particles. The system shows a one phase region when the concentration of the polymer is low, whereas a two-phase region is present when the concentration of the polymer is larger than a critical concentration at certain volume fraction of the colloids. Interestingly, a face centered cubic colloidal crystalline structure was formed under certain conditions, which has been rarely observed in experiments of colloid-polymer mixtures with competing interactions.展开更多
A novel experimental procedure was proposed to investigate the phase behavior of a solvent mixture(SM)(64 mol%CH4,8 mol%CO2,and 28 mol%C3 H8)with heavy oil.Then,a theoretical methodology was employed to estimate the p...A novel experimental procedure was proposed to investigate the phase behavior of a solvent mixture(SM)(64 mol%CH4,8 mol%CO2,and 28 mol%C3 H8)with heavy oil.Then,a theoretical methodology was employed to estimate the phase behavior of the heavy oil-solvent mixture(HO-SM)systems with various mole fractions of SM.The experimental results show that as the mole fraction of SM increases,the saturation pressures and swelling factors of the HO-SM systems considerably increase,and the viscosities and densities of the HO-SM systems decrease.The heavy oil is upgraded in situ via asphaltene precipitation and SM dissolution.Therefore,the solvent-enriched oil phase at the top layer of reservoirs can easily be produced from the reservoir.The aforementioned results indicate that the SM has promising application potential for enhanced heavy oil recovery via solvent-based processes.The theoretical methodology can accurately predict the saturation pressures,swelling factors,and densities of HO-SM systems with various mole fractions of SM,with average error percentages of1.77%for saturation pressures,0.07%for swelling factors,and 0.07%for densities.展开更多
The high-pressure phase behavior of coating-solvent-supercritical or sub-critical carbon dioxide system was investigated experimentally. The coating matrix used was 108-acrylic resin at concentration ranging from 10% ...The high-pressure phase behavior of coating-solvent-supercritical or sub-critical carbon dioxide system was investigated experimentally. The coating matrix used was 108-acrylic resin at concentration ranging from 10% to 50% (by mass) in mixtures with n-butyl acetate. The experiments were conducted in a high-pressure view cell for temperatures from 35℃ to 65℃ and for pressures from 3.0MPa to 8.0MPa. The effect of temperature, pressure and content of every component on the phase behavior of the systems was observed. Finally, the ternary phase diagram for resin-solvent-CO2 was plotted.展开更多
The phase behaviors in a binary mixture of diblock copolymers confined between two parallel walls are investigated by using a cell dynamics simulation of the time-dependent Ginzburg-Landau theory.The morphological dep...The phase behaviors in a binary mixture of diblock copolymers confined between two parallel walls are investigated by using a cell dynamics simulation of the time-dependent Ginzburg-Landau theory.The morphological dependence of the wall-block interaction and the distance between walls（confinement degree） has been systematically studied,and the effect of repulsive interactions between different monomers is also discussed.It is interesting that multiple novel morphological transitions are observed by changing these factors,and various multilayered sandwich structures are formed in the mixture.Furthermore,the parametric dependence and physical reasons for the microdomain growth and orientational order transitions are discussed.From the simulation,we find that much richer morphologies can form in a binary mixture of diblock copolymers than those in a pure diblock copolymer.Our results provide an insight into the phase behaviors under parallel wall confinement and may provide guidance for experimentalists.This model system can also give a simple way to realize orientational order transition in soft materials through confinement.展开更多
The forming mechanism of microemulsion of sodium dodecyl sulfonate, alcohols,water and isooctane was studied, with particular emphasis on the effect of molecular weight andconcentration of alcohols. Phase diagram of t...The forming mechanism of microemulsion of sodium dodecyl sulfonate, alcohols,water and isooctane was studied, with particular emphasis on the effect of molecular weight andconcentration of alcohols. Phase diagram of the four components, alcohol, sodium dodecyl sulfonate,water and isooctane, was used as a means of study, through which the microemulsion regions weredetermined. Phase diagram of sodium dodecyl sulfonate/n-pentanol/isooctane/water system at κ_m = 2(κ_m = W_(n-pentanol)/W_(SDS)) is presented. The variation of conductivities of differentmicroemulsion samples with water was measured. From the conductivities we investigated a change instructure from water droplets in oil (W/O) at low water content to liquid crystal at intermediatewater content and a stricture of oil droplets in water (O/W) at high water content.展开更多
CO_(2)dissolution into an aqueous phase and water evaporation into a gaseous phase takes place during CO_(2)injection into an oil reservoir.This study aims to evaluate the phase behaviors of the oil-gas-water system i...CO_(2)dissolution into an aqueous phase and water evaporation into a gaseous phase takes place during CO_(2)injection into an oil reservoir.This study aims to evaluate the phase behaviors of the oil-gas-water system in the displacement of crude oil by CO_(2).The composition of the JL oilfield in the northeast of China is taken as an example.The flash calculation of the oil-gas-water system was performed,based on the method presented by Li and Nghiem.The research results show that CO_(2)dissolution in the aqueous phase declines as the NaCl concentration in formation water rises.CO_(2)injection is beneficial for the evaporation of formation water.The NaCl concentration in formation water has little effect on water evaporation and dissolved-gas escape.When the injection-gas mole fraction of CO_(2)is 0.5,CO_(2)injection can reverse the phase behavior of the petroleum mixture and the oil-gas system is converted to a pure gas-condensate system.For CO_(2)injection,water vapor has little effect on the miscibility of multiple contacts,but can reduce the miscibility of the first contact.展开更多
The miscibility and phase behavior of the blends of polyoxymethylene (POM)/Novolak were investigated by the cloud point method, which showed that the POM/Novolak blends exhibited a lower critical solution temperature....The miscibility and phase behavior of the blends of polyoxymethylene (POM)/Novolak were investigated by the cloud point method, which showed that the POM/Novolak blends exhibited a lower critical solution temperature. The melting point of POM decreased when diluted with Novolak. From the melting temperature depression of POM, a negative interaction parameter (x) between POM and Novolak was obtained. The IR spectrum revealed that the miscibility between POM and Novolak was caused by the specific interaction between the OH groups of Novolak and the ether oxygen atoms of POM. The morphology of the blends investigated by polarized light microscopy showed that the size of spherulites of POM was sharply decreased by its mixing with Novolak. This suggests that Novolak be used as a compatibilizer for POM.展开更多
Phase behavior of binary system of bromobenzene-chlorobenzene （C6H5Br-C6H5Cl） confined in SBA-15 and MCM-41 （pore diameter 8 nm, 3.8 nm, respectively） has been investigated by means of differential scanning calori...Phase behavior of binary system of bromobenzene-chlorobenzene （C6H5Br-C6H5Cl） confined in SBA-15 and MCM-41 （pore diameter 8 nm, 3.8 nm, respectively） has been investigated by means of differential scanning calorimetry （DSC）. Phase diagram of C6H5Br-C6H5Cl system confined in SBA-15 is a type of the complete miscible both in liquid and solid state, the same phase behavior as the bulk system. However, the phase diagram comprises only one boundary line, which is shifted down 22-36 K with respect to the bulk system. C6H5Br-C6H5Cl or the mixture within nanopores of MCM-41 is nonfreezing. The different phase behavior of the system confined in SBA-15 and MCM-41 is thought mainly due to the relative size of pore to molecule. （C） 2011 Xiao Zheng Lan. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.展开更多
We present a coarse-grained molecular dynamics simulation study of phase behavior of amphiphilic monolayers at the liquid crystal （LC）/water interface. The results revealed that LCs at interface can influence the la...We present a coarse-grained molecular dynamics simulation study of phase behavior of amphiphilic monolayers at the liquid crystal （LC）/water interface. The results revealed that LCs at interface can influence the lateral ordering of amphiphiles. Particularly, the amphiphile tails along with perpendicularly penetrated LCs between tails undergo a two-dimension phase transition from liquid-expanded into a liquid-condensed phase as their area density at interface reaches 0.93. While, the liquid-condensed phase of the monolayer never appears at oil/water interface with isotropic shape oil particles. These findings reveal the penetration of anisotropic LC can promote ordered lateral organization of amphiphiles. Moreover, we find the phase transition point is shifted to lower surface coverage of amphiphiles when the LCs have larger affinity to the amphiphile tails.展开更多
基金Supported by the National Natural Science Foundation of China Joint Fund(U22B2075).
文摘Considering the interactions between fluid molecules and pore walls,variations in critical properties,capillary forces,and the influence of the adsorbed phase,this study investigates the phase behavior of the CO_(2)-shale oil within nanopores by utilizing a modified Peng-Robinson(PR)equation of state alongside a three-phase(gas-liquid-adsorbed)equilibrium calculation method.The results reveal that nano-confinement effects of the pores lead to a decrease in both critical temperature and critical pressure of fluids as pore size diminishes.Specifically,CO_(2) acts to inhibit the reduction of the critical temperature of the system while promoting the decrease in critical pressure.Furthermore,an increase in the mole fraction of CO_(2) causes the critical point of the system to shift leftward and reduces the area of the phase envelope.In the shale reservoirs of Block A in Gulong of the Daqing Oilfield,China,pronounced confinement effects are observed.At a pore diameter of 10 nm,reservoir fluids progressively exhibit characteristics typical of condensate gas reservoirs.Notably,the CO_(2) content in liquid in 10 nm pores increases by 20.0%compared to that in 100 nm pores,while the CO_(2) content in gas decreases by 10.8%.These findings indicate that confinement effects enhance CO_(2) mass transfer within nanopores,thereby facilitating CO_(2) sequestration and improving microscopic oil recovery.
基金supported by the National Natural Science Foundation of China (No.20607008)the National Science Research Foundation of Yunnan Province Educational Office (No.07Y11138)
文摘Triton Xs （TXs） surfactants/cosurfactant/water/oil （toluene） microemulsion systems for enhancing toluene solubilization were proposed and its potential was investigated for toluene removal from gas stream. The results indicated that TX-100 was superior to other TXs surfactants in removing toluene without cosurfactant. The efficiency of cosurfactants for improving toluene solubilization capacity follows the order： amine 〉 alcohol 〉 acid. According to the factor analysis, the linear cosurfactants are better than the branched ones. The effects of hydrophile-lipophile balance （HLB）, salt （NaCl） concentration and temperature on the formation of microemulsion system were also discussed. The results suggested that the optimum value of HLB was 15, the effect of NaCl concentration on the system was inconspicuous and the lower temperature enhanced the solubilization capacity. Nonionic surfactant-based microemulsions had a significant absorption enhancement for toluene, indicated by as much as 82.72% of toluene in phase composition diagram, which will have a great prospect in air pollution treatment.
文摘Among complex oxides containing rare earth and manganese BaLn_2Mn_2O_7 (Ln=rare earth) with the layered perovskite type and Ln_2(Mn, M)O_7 with pyrochlore-related structure were studied since these compounds show many kinds of phases and unique phase transitions. In BaLn_2Mn_2O_7 there appear many phases, depending on the synthetic conditions for each rare earth. The tetragonal phase of so-called Ruddlesden-Popper type is the fundamental structure and many kinds of deformed modification of this structure are obtained. For BaEu_2Mn_2O_7 at least five phases have been identified from the results of X-ray diffraction analysis with the space group P4_2/mnm, Fmmm, Immm and A2/m in addition to the fundamental tetragonal I4/mmm phase. In the pyrochlore-related type compounds, Ln_2Mn_(2-x)M_xO_7 (M=Ta, Nb, W etc), there also appear several phases with different crystal structures. With regard to every rare earth, Ln_2MnTaO_7 phase is stable only for excess Ta and can be obtained under high oxygen partial pressure process. This group has trigonal structure with zirkelite type (P3_121 space group). On the other hand Ln_2Mn_(2/3)Nb_(4/3)O_7 phase has monoclinic (C2/c space group) and zirconolite type structure. All of these structural models have the fundamental structure based on HTB (hexagonal tungsten bronze) layers formed by the arrangement of oxygen octahedra.
文摘Four new organosilane compounds containing cholesteryl group were synthesized by esterification of 3,3,5,5-tetramethyl-3,5-disila-4-oxa-cyclohexane-1-carboxylic acid and ω-hydroxyalkyl, cholesteryl carbonate in the presence of DCC and DMAP. Their structures were characterized by1H-NMR, IR and elemental analysis. Their phase behaviors were investigated by differential scanning calorimetry (DSC) and polarized microscopy. Results showed that these four organosilane compounds were all liquid crystalline and longer spacer was advantageous to orientation of organosilane heterocycle and cholesteryl group.
基金Supported by the National Natural Science Foundation of China （20876041, 20736002）, the National Basic Research Program of China （2009CB219902）, Program for Changjiang Scholars and Innovative Research Team in University of China （IRT0721） and the 111 Project of China （B08021）.
文摘An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature （pVT） and phase equilibrium of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The mo- lecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular parameters of homologous substances, subsequently p VT and vapor-liquid equilibria vapor-liquid equilibria （VLE） can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.
基金financially supported by the National Natural Science Foundation of China(No.50673063)Program for the New-Century Excellent Talents of Ministry of Education of China(NCET-08-0381)Sichuan Provincial Science Fund for Distinguished Young Scholars(09ZQ026-024)
文摘A series of fluorinated phosphatidylcholine polyurethane macromolecular additives were synthesized by solution polymerization using methylenebis（phylene isocyanates） （MDI） and 1,4-butanediol （BDO） as hard segments, a new phoshporycholine, 2-（2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-（2-hydroxyethoxy）decyloxy） ethyl phosphorycholine （HDFOPC） as end-capper, and four polydiols, poly（tetramethylene glycol）s （PTMG）, polydimethylsiloxane （PDMS）, poly（1,6-hexyl-1,5-pentylcarbonate） （PHPC） and poly（propylene glycol） （PPG） as soft segments, respectively. The chemical structures of the synthesized polyurethanes were characterized by 1H-NMR and FTIR. DSC and DMA were employed to study the phase behavior of these novel polyurethanes due to their great influences on the surface properties, and hence their interactions with bio-systems. The results showed that phase separation of the fluorinated phosphatidylcholine end-capped polyurethanes was increased in comparison with that of normal polyurethanes. The effect of fluorinated phosphatidylcholine end-capped groups on the phase behavior was further demonstrated by analyzing the degree of hydrogen-bonding between hard and soft segments.
基金support from The Natural Science Foundation of Shandong Province,China(No ZR2010BM035)National Natural Science Foundation of China(No21273138)
文摘Phase behavior of normal decane-dodecane （n-CloH2/-CI2H26, Clo-C12） system confined in SBA-15 （Santa Barbara Amorphous, pore diameters 3.8, 7.8, and 17.2 nm） has been studied by using differential scanning calorimetry. It has been found solid-liquid phase diagram of the C10-C12/SBA-15 system is composed of a straight line （3.8 nm）, a curve （7.8 nm） and a loop line （17.2 nm）. The growth of the phase diagram clearly shows the size effect on phase behavior of binary alkanes. Phase behavior has been compared among the systems C10H22-CI2H26]SBA-15, C12H26-C14H3o/SBA-15 and C14H30-C16H34/SBA-15.
基金Supported by the National Natural Science Foundation of China(21676152)the Key Research Project of Shandong Province(2016GSF116004)
文摘Extractive distillation was investigated for separation of the minimum azeotrope of n-propanol/water, via the Aspen Plus simulation platform. Experimental data of n-propanol/water, which could pass the thermodynamic consistency test, were regressed to get suitable binary interaction parameters(BIPs) by the UNIQUAC thermodynamic model. The azeotrope system was heterogeneous in the simulation with built-in BIPs, which was contrary to the experimental data. The study focused on the effect of thermodynamic parameters on the prediction of phase behavior, and process design of extractive distillation. N-methyl-2-pyrrolidone(NMP) and ethylene glycol were used as solvents to implement the separation. Processes with built-in and regressed BIPs were explored,based on the minimum total annual cost(TAC). There were significant differences in the phase behavior simulation using different thermodynamic parameters, which showed the importance of BIPs in the design and optimization of extractive distillation.
基金supported by the National Natural Science Foundation of China(Nos.21304097,21334007and 21674113)
文摘We use a Monte Carlo method to study the phase and interracial behaviors of A-b-B diblocks in a blend of homopolymers, A and B, which are confined between two asymmetric hard and impenetrable walls. Our results show that, when the interaction strength is weak, the block copolymers are uniformly distributed in the ternary mixtures under considered concentrations. Under strong interaction strength, distribution region of the block copolymers changes from a single smooth interface to a curved interface or multi-layer interface in the ternary mixtures. Furthermore, our findings show that with increasing volume fraction of A-b-B diblock copolymer （φc）, copolymer profiles broaden while φc ≥ 0.4, a lamellar phase is formed and by further increasing φc, more thinner layers are observed. Moreover, the results show that, with the increase of φc, the phase interface first gradually transforms from plane to a curved surface rather than micelle or lamellar phase while with the increase of the interaction between A and B segments （CAB）, the copolymer chains not only get stretched in the direction perpendicular to the interface, but also are oriented. The simulations also reveal that the difference between symmetric and asymmetric copolymers is negligible in statistics if the lengths of two blocks are comparable.
基金This work was supported by the National Natural Science Foundation of China (59473901).
文摘Phase behavior, thermal stability and rheological properties of the blends of poly(phthalazinone ether ketone) (PPEK) with bisphenol-A polycarbonate (PC) prepared by solution coprecipitation were studied using differential scanning calorimetry (DSC), Frourier-Transform IR spectroscopy (FT-IR), thermogravimetric analysis (TGA) and capillary rheometer. The DSC results indicated that PPEK/PC blends are almost immiscible in full compositions. FT-IR investigation showed that there were no apparent specific interactions between the constituent polymers. The blends keep excellent thermal stability and the addition of PC degrades the thermal stability of blends to some degree. The thermal degradation processes of the blends are much similar to that of PC. The studies on rheological properties of blends show that blending PPEK with PC is beneficial to reducing the melt viscosity and improving the appearance of PPEK.
基金This work was supported by the Special Funds for Major Stale Basic Research Projects (No. 2005CB623802) National Natural Science Foundation of China (No. 50373037).
文摘Rheological measurement has been a preferred approach to the characterization of the structure and phase behaviors for multi-component/multi-phase polymer systems, due to its sensitive response to the changes of structure for these heterogeneous polymers. In the present article, recent progresses in the studies on rheology for heterogeneous polymer systems including phase-separated polymeric blends and block copolymers are reviewed, mainly depending on the results by the authors＇ research group. By means of rheological measurements, not only some new fingerprints responsible for the evolution of morphology and structure concerning these polymer systems are obtained, also the corresponding results are significant for design and preparation of novel polymeric structural materials and functional materials.
基金supported by the National Basic Research Program of China (No.2012CB821500)the HASYLAB project (No.II-20080190)
文摘Demixing and colloidal crystallization in the mixture of charge stabilized colloidal poly（methyl methacrylate） particles and soluble poly（ethylene oxide） were investigated by means of synchrotron small-angle X-ray scattering （SAXS） technique. Phase diagram of the mixture was obtained based on visual inspection and SAXS results. The phase behavior is determined as a function of the concentration of the polymer as well as the volume fraction of the colloidal particles. The system shows a one phase region when the concentration of the polymer is low, whereas a two-phase region is present when the concentration of the polymer is larger than a critical concentration at certain volume fraction of the colloids. Interestingly, a face centered cubic colloidal crystalline structure was formed under certain conditions, which has been rarely observed in experiments of colloid-polymer mixtures with competing interactions.
基金financially supported by the National Natural Science Foundation of China(No.51604293)the Shandong Provincial Natural Science Foundation,China(No.ZR2016EEB30)+3 种基金the Fundamental Research Funds for the Central Universities(No.17CX02009A)the Qingdao Applied Basic Research Program(Source Innovation)(No.17-1-1-32-jch)the Scientific Research Foundation of China University of Petroleum for Talent Introduction(No.YJ201601093)the National Science and Technology Major Project(2016ZX05031-002)。
文摘A novel experimental procedure was proposed to investigate the phase behavior of a solvent mixture(SM)(64 mol%CH4,8 mol%CO2,and 28 mol%C3 H8)with heavy oil.Then,a theoretical methodology was employed to estimate the phase behavior of the heavy oil-solvent mixture(HO-SM)systems with various mole fractions of SM.The experimental results show that as the mole fraction of SM increases,the saturation pressures and swelling factors of the HO-SM systems considerably increase,and the viscosities and densities of the HO-SM systems decrease.The heavy oil is upgraded in situ via asphaltene precipitation and SM dissolution.Therefore,the solvent-enriched oil phase at the top layer of reservoirs can easily be produced from the reservoir.The aforementioned results indicate that the SM has promising application potential for enhanced heavy oil recovery via solvent-based processes.The theoretical methodology can accurately predict the saturation pressures,swelling factors,and densities of HO-SM systems with various mole fractions of SM,with average error percentages of1.77%for saturation pressures,0.07%for swelling factors,and 0.07%for densities.
基金Supported by the Natural Science Foundation of Beijing(No.2992015)the National Natural Science Foundation ofChina.(No.20076004) and the Research Fund for the Doctoral Program of Higher Education(No.2000001005).
文摘The high-pressure phase behavior of coating-solvent-supercritical or sub-critical carbon dioxide system was investigated experimentally. The coating matrix used was 108-acrylic resin at concentration ranging from 10% to 50% (by mass) in mixtures with n-butyl acetate. The experiments were conducted in a high-pressure view cell for temperatures from 35℃ to 65℃ and for pressures from 3.0MPa to 8.0MPa. The effect of temperature, pressure and content of every component on the phase behavior of the systems was observed. Finally, the ternary phase diagram for resin-solvent-CO2 was plotted.
基金Project supported by the National Natural Science Foundation of China (Grant No. 20673070)the Natural Science Foundation of Shanxi Province (Grant No. 2007011055)+1 种基金the Natural Science Foundation for Young Scientists of Shanxi Province (Grant No. 2011021008-1)the Soft Science Program of Shanxi Province (Grant No. 2011041015-01)
文摘The phase behaviors in a binary mixture of diblock copolymers confined between two parallel walls are investigated by using a cell dynamics simulation of the time-dependent Ginzburg-Landau theory.The morphological dependence of the wall-block interaction and the distance between walls（confinement degree） has been systematically studied,and the effect of repulsive interactions between different monomers is also discussed.It is interesting that multiple novel morphological transitions are observed by changing these factors,and various multilayered sandwich structures are formed in the mixture.Furthermore,the parametric dependence and physical reasons for the microdomain growth and orientational order transitions are discussed.From the simulation,we find that much richer morphologies can form in a binary mixture of diblock copolymers than those in a pure diblock copolymer.Our results provide an insight into the phase behaviors under parallel wall confinement and may provide guidance for experimentalists.This model system can also give a simple way to realize orientational order transition in soft materials through confinement.
基金Supported by the Natural Science Foundation of Zhejiang Province (No. 299018).
文摘The forming mechanism of microemulsion of sodium dodecyl sulfonate, alcohols,water and isooctane was studied, with particular emphasis on the effect of molecular weight andconcentration of alcohols. Phase diagram of the four components, alcohol, sodium dodecyl sulfonate,water and isooctane, was used as a means of study, through which the microemulsion regions weredetermined. Phase diagram of sodium dodecyl sulfonate/n-pentanol/isooctane/water system at κ_m = 2(κ_m = W_(n-pentanol)/W_(SDS)) is presented. The variation of conductivities of differentmicroemulsion samples with water was measured. From the conductivities we investigated a change instructure from water droplets in oil (W/O) at low water content to liquid crystal at intermediatewater content and a stricture of oil droplets in water (O/W) at high water content.
基金The National Major Science and Technology Projects of China(2017ZX05030)supported this work。
文摘CO_(2)dissolution into an aqueous phase and water evaporation into a gaseous phase takes place during CO_(2)injection into an oil reservoir.This study aims to evaluate the phase behaviors of the oil-gas-water system in the displacement of crude oil by CO_(2).The composition of the JL oilfield in the northeast of China is taken as an example.The flash calculation of the oil-gas-water system was performed,based on the method presented by Li and Nghiem.The research results show that CO_(2)dissolution in the aqueous phase declines as the NaCl concentration in formation water rises.CO_(2)injection is beneficial for the evaporation of formation water.The NaCl concentration in formation water has little effect on water evaporation and dissolved-gas escape.When the injection-gas mole fraction of CO_(2)is 0.5,CO_(2)injection can reverse the phase behavior of the petroleum mixture and the oil-gas system is converted to a pure gas-condensate system.For CO_(2)injection,water vapor has little effect on the miscibility of multiple contacts,but can reduce the miscibility of the first contact.
文摘The miscibility and phase behavior of the blends of polyoxymethylene (POM)/Novolak were investigated by the cloud point method, which showed that the POM/Novolak blends exhibited a lower critical solution temperature. The melting point of POM decreased when diluted with Novolak. From the melting temperature depression of POM, a negative interaction parameter (x) between POM and Novolak was obtained. The IR spectrum revealed that the miscibility between POM and Novolak was caused by the specific interaction between the OH groups of Novolak and the ether oxygen atoms of POM. The morphology of the blends investigated by polarized light microscopy showed that the size of spherulites of POM was sharply decreased by its mixing with Novolak. This suggests that Novolak be used as a compatibilizer for POM.
基金financial support from The Natural Science Foundation of Shandong Province,China(No. ZR2010BM035)
文摘Phase behavior of binary system of bromobenzene-chlorobenzene （C6H5Br-C6H5Cl） confined in SBA-15 and MCM-41 （pore diameter 8 nm, 3.8 nm, respectively） has been investigated by means of differential scanning calorimetry （DSC）. Phase diagram of C6H5Br-C6H5Cl system confined in SBA-15 is a type of the complete miscible both in liquid and solid state, the same phase behavior as the bulk system. However, the phase diagram comprises only one boundary line, which is shifted down 22-36 K with respect to the bulk system. C6H5Br-C6H5Cl or the mixture within nanopores of MCM-41 is nonfreezing. The different phase behavior of the system confined in SBA-15 and MCM-41 is thought mainly due to the relative size of pore to molecule. （C） 2011 Xiao Zheng Lan. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
基金financially supported by the Naional Natural Science Foundation of China(Nos.21174154,50930002 and 20874110)the Supercomputer Center of Chinese Academy of Sciences
文摘We present a coarse-grained molecular dynamics simulation study of phase behavior of amphiphilic monolayers at the liquid crystal （LC）/water interface. The results revealed that LCs at interface can influence the lateral ordering of amphiphiles. Particularly, the amphiphile tails along with perpendicularly penetrated LCs between tails undergo a two-dimension phase transition from liquid-expanded into a liquid-condensed phase as their area density at interface reaches 0.93. While, the liquid-condensed phase of the monolayer never appears at oil/water interface with isotropic shape oil particles. These findings reveal the penetration of anisotropic LC can promote ordered lateral organization of amphiphiles. Moreover, we find the phase transition point is shifted to lower surface coverage of amphiphiles when the LCs have larger affinity to the amphiphile tails.
