A kind of neat asphalt and three kinds of diatomite asphalt are tested using differential scanning calorimetry(DSC). The anti-cracking mechanism of diatomite asphalt is analyzed by DSC and the thermal stress restrai...A kind of neat asphalt and three kinds of diatomite asphalt are tested using differential scanning calorimetry(DSC). The anti-cracking mechanism of diatomite asphalt is analyzed by DSC and the thermal stress restrained specimen test(TSRST) of the asphalt mixtures. The results show that the low temperature performance of diatomite asphalt is better than that of neat asphalt. The glass transition temperature can reflect the low temperature performance of the diatomite asphalt better and has a good relationship with breaking temperatures. Besides, the TSRST, the bending test, the compressing test and the contraction coefficient test are used to study the low temperature performance of the diatomite asphalt mixture. The results prove that the low temperature performance of the diatomite asphalt mixture is better than that of the neat asphalt mixture. The critical bending strain energy density and the compressing strain energy density of the diatomite asphalt mixture are greater than those of the neat asphalt mixture. After adding diatomite to the asphalt mixture, the contraction coefficient is reduced. Based on the above results, the anti-cracking mechanism of the diatomite asphalt mixture is analyzed from the angle of contraction performance and breaking energy.展开更多
To design an accelerated method to evaluate thymopentin release from PLGA microspheres in vitro. Microspheres were prepared by double emulsion technique, using poly(lactide-co-glycolide) (PLGA) as carrier. At high...To design an accelerated method to evaluate thymopentin release from PLGA microspheres in vitro. Microspheres were prepared by double emulsion technique, using poly(lactide-co-glycolide) (PLGA) as carrier. At higher medium temperature (45℃, 50℃ and 55℃), an accelerated release testing in short time was studied and correlated with the conventional release (37℃) in vitro. The release in vitro of thymopentin from PLGA microspheres at 45 ℃, 50℃ and 55℃ was significantly accelerated (P 〈 0.05). In particular, at 50℃, an accelerated release (30 h) of the hydrophilic peptide from the PLGA matrix was achieved and correlated well with the conventional release (30 d). An accelerated release testing in vitro at higher temperature could be used to monitor thymopentin release from PLGA microspheres.展开更多
The development of a pseudo-one pot synthesis of 3(5),4-dinitropyrazole enabled us to use it as a starting material for energetic plasticisers. Its acidic proton allowed simple derivatisation on one of the ring nitr...The development of a pseudo-one pot synthesis of 3(5),4-dinitropyrazole enabled us to use it as a starting material for energetic plasticisers. Its acidic proton allowed simple derivatisation on one of the ring nitrogens. The thermal characteristics of two derivatives were evaluated. For instance, the N-allyl compound was a liquid with very low glass transition temperature, whereas the N-propargyl compound was a sticky solid at ambient temperature. The two compounds were both thermally stable according to STANAG 4582.展开更多
Dynamic characteristics of UV enhanced gas–solid PVC chlorination process were revealed by a UV–Vis spectral online analysis method. Experimental results showed an instantaneous increase of the chlorination rate as ...Dynamic characteristics of UV enhanced gas–solid PVC chlorination process were revealed by a UV–Vis spectral online analysis method. Experimental results showed an instantaneous increase of the chlorination rate as soon as UV light was affiliated, which demonstrated the intensified effect of UV radiation on PVC chlorination directly.Different affiliation methods of UV light were then studied, proving that continuous UV radiation could enhance the chlorination process significantly while intermittent UV radiation was able to initiate the chlorination reaction once it was conducted. Besides, experiments were carried out to study the influences of parameters on the chlorination process such as UV wavelength, chlorination temperature, partial pressure of chlorine gas and PVC raw materials. Among all the parameters, chlorination temperature and partial pressure of chlorine gas were testified as two key factors to determine the chlorination performance. Thermal analysis of CPVC products showed that their corresponding properties such as the glass transition temperature(Tg) and the homogeneity of chlorine distribution in polymer phase were improved with the increase of chlorine content.展开更多
Waterborne acrylic emulsions modified with organic siloxanes and aziridine crosslinker were synthesized and applied as coating of controlled release fertilizer. The free films were characterized and the nutrient relea...Waterborne acrylic emulsions modified with organic siloxanes and aziridine crosslinker were synthesized and applied as coating of controlled release fertilizer. The free films were characterized and the nutrient release profiles of the coated fertilizers were determined. The results show that methyl silicone oil and methylsilanolate sodium could not improve water resistance performance and glass transition temperature Tgof coatings, while the firmness is enhanced. Aziridine crosslinker improves the water resistance performance, firmness and Tg. Incorporation of methyl silicone oil and aziridine crosslinker gives an excellent aqueous acrylic emulsion for coated controlled release fertilizer, with the 30-day cumulative nutrient release reduced to 16% and an estimated nutrient release duration over 190 days. Therefore, this waterborne coating is promising to meet the requirements for controlled release of nutrient and environmental protection.展开更多
Using novolac phenolic resin, aniline and formaldehyde as raw materials, benzoxazine-phenolic copolymers with different percentages of benzoxazine rings were prepared. FT-IR was adopted to characterize the molecular s...Using novolac phenolic resin, aniline and formaldehyde as raw materials, benzoxazine-phenolic copolymers with different percentages of benzoxazine rings were prepared. FT-IR was adopted to characterize the molecular structure of the novolac-type phenolic resin and the benzoxazine-phenolic copolymer BP31. In order to understand the curing process of the copolymers, the curing behavior and curing kinetic characteristics were studied by differential scanning calorimetry (DSC), and the catalytical effect of phenolic hydroxyl on the curing behavior of copolymers was investigated. To investigate the thermal properties of this resin, the thermal degradation behaviors of the cured samples were studied by thermal gravimetric (TG) method, and glass-transition temperatures (Tg) of the cured copolymers were also evaluated by DSC. The dynamic Ozawa method was adopted to determine the kinetic parameters of the curing process as well. The activation energy is 78.8 kJ/mol and the reaction rate constant is in the range from 40.0 to 5.2 (K/min)" according to reaction temperatures. The Ozawa exponent decreases from 2.4 to 0.7 with the increase of reaction temperature, and curing mechanism is expounded briefly according to the results. TG result shows that the highest char yield of copolymers is 50.3%. The highest Tg of copolymers is 489 K, which is much higher than that of pure benzoxazine resin.展开更多
This study reports preparation of glass composition (54.50 wt.%) SiO2, (10.80 wt.%) B2O3, (14.20 wt.%) Na2O, (1.20 wt.%) K2O, (6.00 wt.%) CaO, (4.00 wt.%) Fe2O3 and (9.30 wt.%) TiO2 by melt quenching met...This study reports preparation of glass composition (54.50 wt.%) SiO2, (10.80 wt.%) B2O3, (14.20 wt.%) Na2O, (1.20 wt.%) K2O, (6.00 wt.%) CaO, (4.00 wt.%) Fe2O3 and (9.30 wt.%) TiO2 by melt quenching method using direct microwave heating and conventional resistive heating. Study of dielectric loss factor of the glass as function of temperature illustrated increasing loss factor above 370 ℃, 550 ℃, 650 ℃ and 900 ℃, indicating enhanced microwave absorption by the glass at above these temperatures. Chemical analysis results of both the glasses depicted more volatilization loss of volatile ingredients in conventional heating. The study of chemical durability was performed from leachate analysis describing less leaching of Na2O, K2O and other constituents from glass melted in microwave furnace. Glass transition temperatures (Tg) were found to be 576.3 ℃ and 569.5 ℃ for glass melted in conventional and microwave heating route, respectively. Laboratory experiment of glass melting utilizing microwave energy as an alternate heating source demonstrated 70%-75% electrical power saving.展开更多
A series of Poly(arly ether sulfone ether ketone)s containing pendant methyl groups were synthesized by the reaction of 4,4'-[sulfonylbis (1,4-phenylene)dioxy] dibenzoyl chloride (SODBC) with 4,4'- diphenoxy d...A series of Poly(arly ether sulfone ether ketone)s containing pendant methyl groups were synthesized by the reaction of 4,4'-[sulfonylbis (1,4-phenylene)dioxy] dibenzoyl chloride (SODBC) with 4,4'- diphenoxy diphenylsulfone (DPODPS), 4,4'- di(2-methylphenoxy) diphenylsulfone (o-Me-DPODPS), 4,4'- di(3-methylphenoxy) diphenylsulfone (m-Me-DPODPS), 4,4'- di (2,6-bimethylphenoxy) biphenylsulfone(o-Me2-DPODPS) respectively, in a mixture of 1,2-dichloroethane (DCE) and N-methylpyrrolidone (NMP). These reactions were catalyzed by anhydrous aluminum chloride (AlCl). The characteristic of copolymers were studied by means of advanced analytical techniques such as FT-IR,1H-NMR, DSC, TGA and WAXD. The results show glass transition temperature (Tg) in the range of 193-206℃, thermally stable in excess of 434℃ and excellent solubility in polar solvents. Methyl-substituted Poly(aryl ether sulfone ketone)s had higher glass transition temperatures, lower initial decomposition temperatures than the unsubstituted ones.展开更多
A functional integral approach (FIA) is introduced to calculate the transition temperature of a uniform imperfect Bose gas. With this approach we find that the transition temperature is higher than that of the corresp...A functional integral approach (FIA) is introduced to calculate the transition temperature of a uniform imperfect Bose gas. With this approach we find that the transition temperature is higher than that of the corresponding ideal gas. We obtain the expression of the transition temperature shift as , where n is the density of particle number and a is the scattering length. The result has never been reported in the literature.展开更多
Using coarse-grained molecular dynamics simulations based on Gay-Berne potential model, we have simulated the cooling process of liquid n-butanol. A new set of GB parameters are obtained by fitting the results of dens...Using coarse-grained molecular dynamics simulations based on Gay-Berne potential model, we have simulated the cooling process of liquid n-butanol. A new set of GB parameters are obtained by fitting the results of density functional theory calculations. The simulations are carried out in the range of 290-50 K with temperature decrements of 10 K. The cooling characteristics are determined on the basis of the variations of the density, the potential energy and orientational order parameter with temperature, whose slopes all show discontinuity. Both the radial distribution function curves and the second-rank orientational correlation function curves exhibit splitting in the second peak. Using the discontinuous change of these thermodynamic and structure properties, we obtain the glass transition at an estimate of temperature Tg=1204.10 K, which is in good agreement with experimental results 1104-1 K.展开更多
Glasses in the series of xWO3-0.31P2O5-0.31B2O3-(0.38-x)Cs2O (0.01 ≤ x ≤0.28) (G1-G4: x= 0.01, 0.1, 0.19, 0.28) were prepared by sol-gel method. Glassy phase in the samples were ascertained by powder X-ray d...Glasses in the series of xWO3-0.31P2O5-0.31B2O3-(0.38-x)Cs2O (0.01 ≤ x ≤0.28) (G1-G4: x= 0.01, 0.1, 0.19, 0.28) were prepared by sol-gel method. Glassy phase in the samples were ascertained by powder X-ray diffraction pattern. Differential scanning calorimetry (DSC) traces of the samples show glass transition temperature Tg, in the range 247-253 ℃. IR spectra at 300 K of G1-G4 show the presence of [WO6], [WO4], [PO4]^3-, [PO3]^2-, [BO4]^+, [BO3] units in the glass matrix. Observed electron paramagnetic resonance (EPR) lineshapes show two signals with very different intensities which are associated with W^5+ (5d^1) and Mo^5+ (4d^1) (impurity) paramagnetic sites. Signal with values ofg factors in the range 1.68 〈 g⊥ 〈 1.72 and 1.58 〈 gⅡ 〈 1.62 are due to W^5+ ions present in axially distorted octahedral symmetry. The optical absorption spectra show that the W^5+ ions have pyramidal coordination, involving a tungstyl ion WO^3+ (C4v symmetry). EPR and optical studies suggest the existence of blocks of octahedra linked by tungsten clusters.展开更多
In the field of highly integrated printed circuit board (PCB), the heat resistant substrate with low water absorption is very important material. To get the resin composition for the high functional substrate materi...In the field of highly integrated printed circuit board (PCB), the heat resistant substrate with low water absorption is very important material. To get the resin composition for the high functional substrate material with low moisture absorption and high glass transition temperature (Tg) simultaneously, a fluorenyl "Cardo" epoxy was incorporated into novolac cyanate ester resin. As an optimum curing agent for the fiuorenyl epoxy, methyl nadic anhydride (MNA) was selected. Silica powders as fillers were added into the resin composition. The partial replacement of the cyanate ester resin with the fluorenyl epoxy could reduce the moisture absorption with keeping high glass transition temperature over 300 ℃. The laminate, which was fabricated from prepregs made with 40 wt% silica-filled resin composition and glass fabric, showed high Tg of 317 ℃ and low moisture absorption of 0.57%.展开更多
The reactive force field was used to study the molecular dynamics of cross-linked EPON 862 (diglycidyl ether of bisphenol-F) and DETDA (diethylene toluene diamine) system in order to predict its thermo-mechanical ...The reactive force field was used to study the molecular dynamics of cross-linked EPON 862 (diglycidyl ether of bisphenol-F) and DETDA (diethylene toluene diamine) system in order to predict its thermo-mechanical behavior under different loading conditions. The approach for building the EPON 862/DETDA structures, cross-linking, and equilibration of the systems, and the evaluation of the models are presented. The mechanical properties such as Young's and shear moduli, Poisson ratio, and yields strength as well as thermal properties such as glass transition temperature and coefficient of thermal expansion are predicted. The results are in close agreement with both experimental data and simulated results in literature.展开更多
The vitrification characteristics of municipal solid waste incinerator (MSWI) fly ash were investigated. Effects of temperature on the binding efficiency of heavy metals, the change of chemical compositions and the we...The vitrification characteristics of municipal solid waste incinerator (MSWI) fly ash were investigated. Effects of temperature on the binding efficiency of heavy metals, the change of chemical compositions and the weight loss of fly ash in the range of 800-1350 ℃ were studied. Toxicity Characteristic Leaching Procedure (TCLP) of the United States was used to analyze the leaching characteristics of heavy metals in fly ash and molten slag. Results indicate that chemical compositions, the weight loss of fly ash and the binding efficiency of heavy metals in fly ash have a tremendous change in the range of 1150-1260 ℃. The percentage of CaO, SiO2 and Al2O3 increases with the increasing temperature, whereas it is contrary for SO3, K2O, Na2O and Cl; especially when the temperature is 1260 ℃, the percentage of these four elements decreases sharply from 43.72% to 0.71%. The weight loss occurs obviously in the range of 1150-1260 ℃. Heavy metals of Pb and Cd are almost vaporized above 1000 ℃. Cr is not volatile and its binding efficiency can reach 100% below 1000 ℃. Results of TCLP indicate that the heavy metal content of molten slag is beyond stipulated limit values.展开更多
In this study, the bending test is used to investigate the glass transition temperature for epoxy reinforced with three types ot fibers, fiberglass, Kevlar and synthetic wool, these materials have a wide used in many ...In this study, the bending test is used to investigate the glass transition temperature for epoxy reinforced with three types ot fibers, fiberglass, Kevlar and synthetic wool, these materials have a wide used in many application which they are used composite materials. The glass transition temperature can be measured at the point of inflection for "the curve of variation of the deflection and temperature. The results show that, the glass transition temperature is affected by the type of the reinforcement of the composites. On the other hand, the glass transition temperature of the wool composite is higher than the other.展开更多
A phosphorus-containing bio-based epoxy resin(EADI)was synthesized from itaconic acid(IA)and 9,10-dihydro-9-oxa-10-phosphaphenanthrene 10-oxide(DOPO).As a matrix,its cured epoxy network with methyl hexahydrophthalic a...A phosphorus-containing bio-based epoxy resin(EADI)was synthesized from itaconic acid(IA)and 9,10-dihydro-9-oxa-10-phosphaphenanthrene 10-oxide(DOPO).As a matrix,its cured epoxy network with methyl hexahydrophthalic anhydride(MHHPA)as the curing agent showed comparable glass-transition temperature and mechanical properties to diglycidyl ether in a bisphenol A(DGEBA)system as well as good flame retardancy with UL94 V-0 grade during a vertical burning test.As a reactive flame retardant,its flame-resistant effect on DGEBA/MHHPA system as well as its influence on the curing behavior and the thermal and mechanical properties of the modified epoxy resin were investigated.Results showed that after the introduction of EADI,not only were the flame retardancy determined by vertical burning test,LOI measurement,and thermogravimetric analysis significantly improved,but also the curing reactivity,glass transition temperature(T g),initial degradation temperature for 5%weight loss(T d(5%)),and flexural modulus of the cured system improved as well.EADI has great potential to be used as a green flame retardant in epoxy resin systems.展开更多
基金The National Natural Science Foundation of China(No.50778057)
文摘A kind of neat asphalt and three kinds of diatomite asphalt are tested using differential scanning calorimetry(DSC). The anti-cracking mechanism of diatomite asphalt is analyzed by DSC and the thermal stress restrained specimen test(TSRST) of the asphalt mixtures. The results show that the low temperature performance of diatomite asphalt is better than that of neat asphalt. The glass transition temperature can reflect the low temperature performance of the diatomite asphalt better and has a good relationship with breaking temperatures. Besides, the TSRST, the bending test, the compressing test and the contraction coefficient test are used to study the low temperature performance of the diatomite asphalt mixture. The results prove that the low temperature performance of the diatomite asphalt mixture is better than that of the neat asphalt mixture. The critical bending strain energy density and the compressing strain energy density of the diatomite asphalt mixture are greater than those of the neat asphalt mixture. After adding diatomite to the asphalt mixture, the contraction coefficient is reduced. Based on the above results, the anti-cracking mechanism of the diatomite asphalt mixture is analyzed from the angle of contraction performance and breaking energy.
文摘To design an accelerated method to evaluate thymopentin release from PLGA microspheres in vitro. Microspheres were prepared by double emulsion technique, using poly(lactide-co-glycolide) (PLGA) as carrier. At higher medium temperature (45℃, 50℃ and 55℃), an accelerated release testing in short time was studied and correlated with the conventional release (37℃) in vitro. The release in vitro of thymopentin from PLGA microspheres at 45 ℃, 50℃ and 55℃ was significantly accelerated (P 〈 0.05). In particular, at 50℃, an accelerated release (30 h) of the hydrophilic peptide from the PLGA matrix was achieved and correlated well with the conventional release (30 d). An accelerated release testing in vitro at higher temperature could be used to monitor thymopentin release from PLGA microspheres.
文摘The development of a pseudo-one pot synthesis of 3(5),4-dinitropyrazole enabled us to use it as a starting material for energetic plasticisers. Its acidic proton allowed simple derivatisation on one of the ring nitrogens. The thermal characteristics of two derivatives were evaluated. For instance, the N-allyl compound was a liquid with very low glass transition temperature, whereas the N-propargyl compound was a sticky solid at ambient temperature. The two compounds were both thermally stable according to STANAG 4582.
基金Supported by the National Science and Technology Key Supporting Project(2013BAF08B05)the National Natural Science Foundation of China(21176137)
文摘Dynamic characteristics of UV enhanced gas–solid PVC chlorination process were revealed by a UV–Vis spectral online analysis method. Experimental results showed an instantaneous increase of the chlorination rate as soon as UV light was affiliated, which demonstrated the intensified effect of UV radiation on PVC chlorination directly.Different affiliation methods of UV light were then studied, proving that continuous UV radiation could enhance the chlorination process significantly while intermittent UV radiation was able to initiate the chlorination reaction once it was conducted. Besides, experiments were carried out to study the influences of parameters on the chlorination process such as UV wavelength, chlorination temperature, partial pressure of chlorine gas and PVC raw materials. Among all the parameters, chlorination temperature and partial pressure of chlorine gas were testified as two key factors to determine the chlorination performance. Thermal analysis of CPVC products showed that their corresponding properties such as the glass transition temperature(Tg) and the homogeneity of chlorine distribution in polymer phase were improved with the increase of chlorine content.
基金Supported by the National 12th Five-Year Science and Technology Supporting Program(2011BAD11B01)the Research & Development Projects Cooperation Project of Chinese Academy of Sciences(YDJDBNJ-2012-023)
文摘Waterborne acrylic emulsions modified with organic siloxanes and aziridine crosslinker were synthesized and applied as coating of controlled release fertilizer. The free films were characterized and the nutrient release profiles of the coated fertilizers were determined. The results show that methyl silicone oil and methylsilanolate sodium could not improve water resistance performance and glass transition temperature Tgof coatings, while the firmness is enhanced. Aziridine crosslinker improves the water resistance performance, firmness and Tg. Incorporation of methyl silicone oil and aziridine crosslinker gives an excellent aqueous acrylic emulsion for coated controlled release fertilizer, with the 30-day cumulative nutrient release reduced to 16% and an estimated nutrient release duration over 190 days. Therefore, this waterborne coating is promising to meet the requirements for controlled release of nutrient and environmental protection.
基金Project (20050106) supported by the Key Science and Technology Item of Guangdong Province,China
文摘Using novolac phenolic resin, aniline and formaldehyde as raw materials, benzoxazine-phenolic copolymers with different percentages of benzoxazine rings were prepared. FT-IR was adopted to characterize the molecular structure of the novolac-type phenolic resin and the benzoxazine-phenolic copolymer BP31. In order to understand the curing process of the copolymers, the curing behavior and curing kinetic characteristics were studied by differential scanning calorimetry (DSC), and the catalytical effect of phenolic hydroxyl on the curing behavior of copolymers was investigated. To investigate the thermal properties of this resin, the thermal degradation behaviors of the cured samples were studied by thermal gravimetric (TG) method, and glass-transition temperatures (Tg) of the cured copolymers were also evaluated by DSC. The dynamic Ozawa method was adopted to determine the kinetic parameters of the curing process as well. The activation energy is 78.8 kJ/mol and the reaction rate constant is in the range from 40.0 to 5.2 (K/min)" according to reaction temperatures. The Ozawa exponent decreases from 2.4 to 0.7 with the increase of reaction temperature, and curing mechanism is expounded briefly according to the results. TG result shows that the highest char yield of copolymers is 50.3%. The highest Tg of copolymers is 489 K, which is much higher than that of pure benzoxazine resin.
文摘This study reports preparation of glass composition (54.50 wt.%) SiO2, (10.80 wt.%) B2O3, (14.20 wt.%) Na2O, (1.20 wt.%) K2O, (6.00 wt.%) CaO, (4.00 wt.%) Fe2O3 and (9.30 wt.%) TiO2 by melt quenching method using direct microwave heating and conventional resistive heating. Study of dielectric loss factor of the glass as function of temperature illustrated increasing loss factor above 370 ℃, 550 ℃, 650 ℃ and 900 ℃, indicating enhanced microwave absorption by the glass at above these temperatures. Chemical analysis results of both the glasses depicted more volatilization loss of volatile ingredients in conventional heating. The study of chemical durability was performed from leachate analysis describing less leaching of Na2O, K2O and other constituents from glass melted in microwave furnace. Glass transition temperatures (Tg) were found to be 576.3 ℃ and 569.5 ℃ for glass melted in conventional and microwave heating route, respectively. Laboratory experiment of glass melting utilizing microwave energy as an alternate heating source demonstrated 70%-75% electrical power saving.
基金This work was supported by National Science Foundation of China (No. 20264001 ), National Science Foundation of Jiangxi Province, Innovation Fund for Technology Based Firms of China (No. 06C26213601342).
文摘A series of Poly(arly ether sulfone ether ketone)s containing pendant methyl groups were synthesized by the reaction of 4,4'-[sulfonylbis (1,4-phenylene)dioxy] dibenzoyl chloride (SODBC) with 4,4'- diphenoxy diphenylsulfone (DPODPS), 4,4'- di(2-methylphenoxy) diphenylsulfone (o-Me-DPODPS), 4,4'- di(3-methylphenoxy) diphenylsulfone (m-Me-DPODPS), 4,4'- di (2,6-bimethylphenoxy) biphenylsulfone(o-Me2-DPODPS) respectively, in a mixture of 1,2-dichloroethane (DCE) and N-methylpyrrolidone (NMP). These reactions were catalyzed by anhydrous aluminum chloride (AlCl). The characteristic of copolymers were studied by means of advanced analytical techniques such as FT-IR,1H-NMR, DSC, TGA and WAXD. The results show glass transition temperature (Tg) in the range of 193-206℃, thermally stable in excess of 434℃ and excellent solubility in polar solvents. Methyl-substituted Poly(aryl ether sulfone ketone)s had higher glass transition temperatures, lower initial decomposition temperatures than the unsubstituted ones.
文摘A functional integral approach (FIA) is introduced to calculate the transition temperature of a uniform imperfect Bose gas. With this approach we find that the transition temperature is higher than that of the corresponding ideal gas. We obtain the expression of the transition temperature shift as , where n is the density of particle number and a is the scattering length. The result has never been reported in the literature.
文摘Using coarse-grained molecular dynamics simulations based on Gay-Berne potential model, we have simulated the cooling process of liquid n-butanol. A new set of GB parameters are obtained by fitting the results of density functional theory calculations. The simulations are carried out in the range of 290-50 K with temperature decrements of 10 K. The cooling characteristics are determined on the basis of the variations of the density, the potential energy and orientational order parameter with temperature, whose slopes all show discontinuity. Both the radial distribution function curves and the second-rank orientational correlation function curves exhibit splitting in the second peak. Using the discontinuous change of these thermodynamic and structure properties, we obtain the glass transition at an estimate of temperature Tg=1204.10 K, which is in good agreement with experimental results 1104-1 K.
文摘Glasses in the series of xWO3-0.31P2O5-0.31B2O3-(0.38-x)Cs2O (0.01 ≤ x ≤0.28) (G1-G4: x= 0.01, 0.1, 0.19, 0.28) were prepared by sol-gel method. Glassy phase in the samples were ascertained by powder X-ray diffraction pattern. Differential scanning calorimetry (DSC) traces of the samples show glass transition temperature Tg, in the range 247-253 ℃. IR spectra at 300 K of G1-G4 show the presence of [WO6], [WO4], [PO4]^3-, [PO3]^2-, [BO4]^+, [BO3] units in the glass matrix. Observed electron paramagnetic resonance (EPR) lineshapes show two signals with very different intensities which are associated with W^5+ (5d^1) and Mo^5+ (4d^1) (impurity) paramagnetic sites. Signal with values ofg factors in the range 1.68 〈 g⊥ 〈 1.72 and 1.58 〈 gⅡ 〈 1.62 are due to W^5+ ions present in axially distorted octahedral symmetry. The optical absorption spectra show that the W^5+ ions have pyramidal coordination, involving a tungstyl ion WO^3+ (C4v symmetry). EPR and optical studies suggest the existence of blocks of octahedra linked by tungsten clusters.
文摘In the field of highly integrated printed circuit board (PCB), the heat resistant substrate with low water absorption is very important material. To get the resin composition for the high functional substrate material with low moisture absorption and high glass transition temperature (Tg) simultaneously, a fluorenyl "Cardo" epoxy was incorporated into novolac cyanate ester resin. As an optimum curing agent for the fiuorenyl epoxy, methyl nadic anhydride (MNA) was selected. Silica powders as fillers were added into the resin composition. The partial replacement of the cyanate ester resin with the fluorenyl epoxy could reduce the moisture absorption with keeping high glass transition temperature over 300 ℃. The laminate, which was fabricated from prepregs made with 40 wt% silica-filled resin composition and glass fabric, showed high Tg of 317 ℃ and low moisture absorption of 0.57%.
文摘The reactive force field was used to study the molecular dynamics of cross-linked EPON 862 (diglycidyl ether of bisphenol-F) and DETDA (diethylene toluene diamine) system in order to predict its thermo-mechanical behavior under different loading conditions. The approach for building the EPON 862/DETDA structures, cross-linking, and equilibration of the systems, and the evaluation of the models are presented. The mechanical properties such as Young's and shear moduli, Poisson ratio, and yields strength as well as thermal properties such as glass transition temperature and coefficient of thermal expansion are predicted. The results are in close agreement with both experimental data and simulated results in literature.
基金Sponsored by the Chinese Postdoctoral Fund(Grant No.023205030)National Natural Science Foundation of China(Grant No.20577047)
文摘The vitrification characteristics of municipal solid waste incinerator (MSWI) fly ash were investigated. Effects of temperature on the binding efficiency of heavy metals, the change of chemical compositions and the weight loss of fly ash in the range of 800-1350 ℃ were studied. Toxicity Characteristic Leaching Procedure (TCLP) of the United States was used to analyze the leaching characteristics of heavy metals in fly ash and molten slag. Results indicate that chemical compositions, the weight loss of fly ash and the binding efficiency of heavy metals in fly ash have a tremendous change in the range of 1150-1260 ℃. The percentage of CaO, SiO2 and Al2O3 increases with the increasing temperature, whereas it is contrary for SO3, K2O, Na2O and Cl; especially when the temperature is 1260 ℃, the percentage of these four elements decreases sharply from 43.72% to 0.71%. The weight loss occurs obviously in the range of 1150-1260 ℃. Heavy metals of Pb and Cd are almost vaporized above 1000 ℃. Cr is not volatile and its binding efficiency can reach 100% below 1000 ℃. Results of TCLP indicate that the heavy metal content of molten slag is beyond stipulated limit values.
文摘In this study, the bending test is used to investigate the glass transition temperature for epoxy reinforced with three types ot fibers, fiberglass, Kevlar and synthetic wool, these materials have a wide used in many application which they are used composite materials. The glass transition temperature can be measured at the point of inflection for "the curve of variation of the deflection and temperature. The results show that, the glass transition temperature is affected by the type of the reinforcement of the composites. On the other hand, the glass transition temperature of the wool composite is higher than the other.
基金financially supported by the National Natural Science Foundation of China(51203176)the National Basic Research Program of China(2010CB631100)+3 种基金the Natural Science Foundation of Ningbo(2012A610095)the China Postdoctoral Science Foundation(2013M-540504)the Postdoctoral Science Foundation of Zhejiang Province(Bsh1201011)the Director Funds of the Ningbo Institute of Materials Technology and Engineering,Chinese Academy of Sciences(Y20224-QF06)
文摘A phosphorus-containing bio-based epoxy resin(EADI)was synthesized from itaconic acid(IA)and 9,10-dihydro-9-oxa-10-phosphaphenanthrene 10-oxide(DOPO).As a matrix,its cured epoxy network with methyl hexahydrophthalic anhydride(MHHPA)as the curing agent showed comparable glass-transition temperature and mechanical properties to diglycidyl ether in a bisphenol A(DGEBA)system as well as good flame retardancy with UL94 V-0 grade during a vertical burning test.As a reactive flame retardant,its flame-resistant effect on DGEBA/MHHPA system as well as its influence on the curing behavior and the thermal and mechanical properties of the modified epoxy resin were investigated.Results showed that after the introduction of EADI,not only were the flame retardancy determined by vertical burning test,LOI measurement,and thermogravimetric analysis significantly improved,but also the curing reactivity,glass transition temperature(T g),initial degradation temperature for 5%weight loss(T d(5%)),and flexural modulus of the cured system improved as well.EADI has great potential to be used as a green flame retardant in epoxy resin systems.