In order to obtain stable interval Q factor, by analyzing the spectrum of monitoring wavelet and down-going wavelet of zero-offset VSP data and referring the spectrum expression of Ricker wavelet, we propose a new exp...In order to obtain stable interval Q factor, by analyzing the spectrum of monitoring wavelet and down-going wavelet of zero-offset VSP data and referring the spectrum expression of Ricker wavelet, we propose a new expression of source wavelet spectrum. Basing on the new expression, we present improved amplitude spectral fitting and spectral ratio methods for interval Q inversion based on zero-offset VSP data, and the sequence for processing the zero-offset VSP data. Subsequently, we apply the proposed methods to real zero-offset VSP data, and carry out prestack inverse Q filtering to zero-offset VSP data and surface seismic data for amplitude compensation with the estimated Q value.展开更多
To control the multicomponent reactions in extrusion, reactive-mixing flow in a co-rotating twin screw extruder was numerically studied in the present paper. Effects of initial species distribution, rotating speed and...To control the multicomponent reactions in extrusion, reactive-mixing flow in a co-rotating twin screw extruder was numerically studied in the present paper. Effects of initial species distribution, rotating speed and flow rate on a competitive-parallel reaction were investigated and the relationship between mixing and reactions was discussed from the view of chemical reaction engineering. The simulation results show the studied operational parameters, which determine residence time distribution, earliness of mixing and segregation degree of reactive-mixing flows, affect the local species concentration and reaction time and hence have significant influences on the reaction extent. Orthogonal test was adopted to clarify the significance of operational parameters.The analysis shows that initial species distribution and flow rate are the most important factors in the control of reaction extent, and effect of rotating speed is conditional depending on the micro-mixing status of the fluid.展开更多
A comprehensive mechanism for propylene polymerization was proposed by considering the effects of main impurities in the material on propylene polymerization. According to the proposed mechanism, Monte Carlo simulatio...A comprehensive mechanism for propylene polymerization was proposed by considering the effects of main impurities in the material on propylene polymerization. According to the proposed mechanism, Monte Carlo simulation was employed to investigate the polymerization kinetics in order to determine the effects of the main impurities on the polymerization. Significant influences of the main impurities on the rate, number-average degree and controlling capability of hydrogen of the polymerization were analyzed.展开更多
A coupled system simulating both firebox and reactor is established to study the naphtha pyrolysis in an industrial tubular furnace.The firebox model is based on zone method including combustion,radiation,and convecti...A coupled system simulating both firebox and reactor is established to study the naphtha pyrolysis in an industrial tubular furnace.The firebox model is based on zone method including combustion,radiation,and convection to simulate heat transfer in the furnace.A two-dimensional recirculation model is proposed to estimate the flow field in furnace.The reactor model integrates the feedstock reconstruction model,an auto-generator of detail kinetic schemes,and the reactor simulation model to simulate the reaction process in the tubular coil.The coupled simulation result is compared with industrial process and shows agreement within short computation time.展开更多
The aim of this paper was preliminary design of the process for low-temperature coal tar hydrocrackmg m supercritical gasoline based on Aspen Plus with the concept of energy self-sustainability. In order to ensure the...The aim of this paper was preliminary design of the process for low-temperature coal tar hydrocrackmg m supercritical gasoline based on Aspen Plus with the concept of energy self-sustainability. In order to ensure the correct- ness and accuracy of the simulation, we did the following tasks: selecting reasonable model compounds for low-tem- perature coal tar; describing the nature of products gasoline and diesel accurately; and confirming the proper property study method for each block by means of experience and trial. The purpose of energy self-sustainability could be pos- sibly achieved, on one hand, by using hot stream to preheat cold stream and achieving temperature control of streams, and on the other hand, by utilizing gas (byproduct of the coal tar hydrocracking) combustion reaction to provide energy. Results showed that the whole process could provide a positive net power of about 609 kW-h for processing the low- temperature coal tar with a flowrate of 2 268 kg/h. The total heat recovery amounted to 2 229 kW-h, among which 845 kW'h was obtained from the gas combustion reaction, and 1 116 kW'h was provided by the reactor's outlet stream, with the rest furnished by hot streams of the products gasoline, diesel and residue. In addition, the process flow sheet could achieve products separation well, and specifically the purity of product gasoline and diesel reached 97.2% and 100%, respectively.展开更多
One-dimensional pseudo-homogeneous model of an axial flow converter and one-dimensional heteroge-neous model of a horizontal converter have been presented, which describe the distribution of gaseous composition,temper...One-dimensional pseudo-homogeneous model of an axial flow converter and one-dimensional heteroge-neous model of a horizontal converter have been presented, which describe the distribution of gaseous composition,temperature and pressure along the height in the two converters, respectively. Design optimization methods of the two converters have been proposed, by which the minimum catalyst volume can be obtained to satisfy the productive capacity of 1000 tons per day, when the operating pressure is 15.0, 10.0 and 7.5 MPa, respectively.展开更多
Recent studies on glaciers in the West Kunlun Shan, northwest Tibetan Plateau, have shown that they may be stable or retreating slightly. Here, we assess changes in the mass of the glaciers in the West Kunlun Shan(WKS...Recent studies on glaciers in the West Kunlun Shan, northwest Tibetan Plateau, have shown that they may be stable or retreating slightly. Here, we assess changes in the mass of the glaciers in the West Kunlun Shan(WKS) in an attempt to understand the processes that control their behavior. Glaciers over the recent 40 years(1970-2010) have shrunk 3.4±3.1%in area, based on a comparison between two Chinese glacier inventories. Variations of surface elevations, derived from ICESat-GLAS(Ice, Cloud, and Land Elevation Satellite-Geoscience Laser Altimeter System) elevation products(GLA14 data) using the robust linear-fit method, indicate that the glaciers have been gaining mass at a rate of 0.23±0.24 m w.e./a since 2003. The annual mass budget for the whole WKS range from 2003 to 2009 is estimated to be 0.71±0.62 Gt/a. This gain trend is confirmed by MOD10A1 albedo for the WKS region which shows a descent of the mean snowline altitude from 2003 to 2009.展开更多
Populus x canescens was cultivated on solid substrate and treated by salt (150 mM NaCl). The growth parameters including new leaf formation, height increment, diameter at the base increment, fresh and dry mass of le...Populus x canescens was cultivated on solid substrate and treated by salt (150 mM NaCl). The growth parameters including new leaf formation, height increment, diameter at the base increment, fresh and dry mass of leaf, stem, coarse root, and fine root were determined. The nutrient elements in leaves of samples under salt stress and the control, and the chlorophyll fluorescence of plants separated dark and light, initial fluorescence (Fo), and maximum fluorescence (Fro) were measured. Results showed that 150 mM NaCI treatment resulted in growth reduction of Populus x canescens. Nutrient element contents in the foliage of plants under salt stress were different from that of control. The foliar N-concentrations of plants under salt stress were not affected. Contents of Na under salt stress were 120 times as much as that under control. However, contents of S, K, P, Ca, Mg, Fe, Mn under salt stress were less than that under control. Salt stress caused damage in the PSII reaction centers, i.e. photo-inhibition couldn't be repaired under dark situation. The yield of chlorophyll fluorescence showed that several parameters associated with PSII functions, e.g. Fv/Fo, Fv/Fm were not influenced at the first stage of salt stress treatment. However, after a period of time, PSII functions were significantly inhibited, which led to the decrease of carbon assimilation. These results suggest that salt stress (150 mM NaCl) did not affect photosynthetic chlorophyll fluorescence of Populus x canescens immediately. After four day of salt stress, PSII reaction centres were seriously damaged during photo-inhibition.展开更多
Cooperative inversion for petroleum reservoir characterization produces an Earth model that fits all available geological, geophysical and reservoir production data to within acceptable error criteria. The mathematica...Cooperative inversion for petroleum reservoir characterization produces an Earth model that fits all available geological, geophysical and reservoir production data to within acceptable error criteria. The mathematical formulation for the inversion requires an appropriate modeling description of both seismic wave propagation and reservoir fluid flow. The inversion requires the minimization of an objective function which is the weighted sum of model misfits for both geophysical and production data. While the complete automation of cooperative inversion may be unrealistic or intractable, geophysical data can provide useful information for enhancing heavy oil production. A methodology is given to demonstrate possible cooperative inversion application in heavy oil reservoirs.展开更多
The V-shaped electro-optical properties control is investigated by an equivalent circuit model.Simu-lation results show that genuine V-shaped form is only observed at hysteresis inversion frequency,and be-low and abov...The V-shaped electro-optical properties control is investigated by an equivalent circuit model.Simu-lation results show that genuine V-shaped form is only observed at hysteresis inversion frequency,and be-low and above this frequency an anomalous and normal hysteresis are observed.And the inversion fre-quency decreases with the resistance of ferroelectric liquid crystal(FLC)layer following logf_i=-alogR_(LC)+b .The results are in good accordance with the reported experimental results.展开更多
Currently, thermal decomposition of hydrocarbons for the production of basic petrochemicals(ethylene, propylene) is carried out in steam-cracking processes. Aside from the conventional method, under consideration are ...Currently, thermal decomposition of hydrocarbons for the production of basic petrochemicals(ethylene, propylene) is carried out in steam-cracking processes. Aside from the conventional method, under consideration are alternative ways purposed for process intensification. In the context of these activities, the method of hightemperature pyrolysis of hydrocarbons in a heat-carrier flow is studied, which differs from previous ones and is based on the ability of an ultra-short time of feedstock/heat-carrier mixing. This enables to study the pyrolysis process at high temperature(up to 1500 K) at the reactor inlet. A set of model experiments is conducted on the lab scale facility. Liquefied petroleum gas(LPG) and naphtha are used as a feedstock. The detailed data are obtained on temperature and product distributions within a wide range of the residence time. A theoretical model based on the detailed kinetics of the process is developed, too. The effect of governing parameters on the pyrolysis process is analyzed by the results of the simulation and experiments. In particular, the optimal temperature is detected which corresponds to the maximum ethylene yield. Product yields in our experiments are compared with the similar ones in the conventional pyrolysis method. In both cases(LPG and naphtha), ethylene selectivity in the fast-mixing reactor is substantially higher than in current technology.展开更多
Three mono-cyclopentadienyl metal complexes, [C_6H_4O_2]CpTiCl (Ⅰ),[C_(12)H_8O_2]CpTiCl (Ⅱ), and [C_(20)H_(12)O_2] CpTiCl (Ⅲ), were prepared via the reactions ofcyclopentadienyl titanium trichloride with catechol, ...Three mono-cyclopentadienyl metal complexes, [C_6H_4O_2]CpTiCl (Ⅰ),[C_(12)H_8O_2]CpTiCl (Ⅱ), and [C_(20)H_(12)O_2] CpTiCl (Ⅲ), were prepared via the reactions ofcyclopentadienyl titanium trichloride with catechol, 2,2i-bisphenol, and 2,2'-bisnaphthol,respectively. In the presence of a moderate amount of methylaluminoxane (MAO), the complexesexhibited catalytic activities for ethylene polymerization. Complex Ⅰ showed the highest activityat Al/Ti molar ratio of 500 at the temperature of 30℃. With increasing of polymerizationtemperature, catalytic activities and molecular weight of the obtained polyethylene tended todecrease, and molecular weight distribution of polyethylene became narrower. With the molecularsimulation method, the charges on titanium atoms of complexes Ⅰ, Ⅱ, and Ⅲ, and the bond anglesformed by Ti and bisphenoxy ligands were calculated. It was concluded that the smaller the netcharge on Ti and the smaller the angle of O1―Ti―O2, the higher the activity of the complex.展开更多
An isothermal operation is implemented by employing a thermogravimetric analyzer (TGA) for simulating the thermal decomposition behavior of 58μm pine sawdust in air atmosphere.An independent parallel reaction model i...An isothermal operation is implemented by employing a thermogravimetric analyzer (TGA) for simulating the thermal decomposition behavior of 58μm pine sawdust in air atmosphere.An independent parallel reaction model is adopted in this study to describe the thermal decomposition mechanism.The Weibull distribution function is used to record and analyze the weight loss during isothermal decomposition at different temperatures(500,600,700,and 800°C).The total weight loss of the pine sawdust is assumed as a linear combination of individual weight loss from three components,including the char and two volatile matters.The plot of the thermal decomposition rate curve leads to kinetic parameters such as the reaction rate constants and the reaction order.The results show that the Weibull distribution function successfully represents decomposition curves of three components,and fits the experimental data very well.Therefore,this study provides a simple way to evaluate the decomposition rate of biomass combustion in a real combustor.展开更多
Bulk polymerizations of styrene (St) were carried out in the presence of three reversible addition fragmentation chain transfer (RAFT) agents benzyl dithiobenzoate (BDB), cumyl dithiobenzoate(CDB), and 1-phenylethyl d...Bulk polymerizations of styrene (St) were carried out in the presence of three reversible addition fragmentation chain transfer (RAFT) agents benzyl dithiobenzoate (BDB), cumyl dithiobenzoate(CDB), and 1-phenylethyl dithiobenzoate (PEDB) under low ratio of RAFT agent to initiator. The kinetic model was developed to predict polymerization rate, which indicates that the RAFT polymerization of St is a first-order reaction. In the range of experimental conversions, the plots of -ln(1-x) against time t are approximately linear (x is monomer conversion). The kinetic study reveals the existence of strong rate retardation in RAFT polymerization of styrene. A coefficient K_r is defined to estimate the rate retardation in the RAFT system considering the assumption that the retardation in polymerization rate is mainly attributed to slow fragmentation of the intermediate radicals. K_r relates to the structure of RAFT agents as well as the concentrations of RAFT agent and azobis isobutyronitrile (AIBN). For a certain RAFT agent, the value of K_r is enhanced by the increase in the initial concentration of RAFT agent and the higher ratio of RAFT to AIBN. With the same recipe for different RAFT agents, the increasing trend for the values of K_r is BDB<PEDB<CDB.展开更多
A simulation calculation model for the solubility of insoluble compound MmAa in complex system was established.According to coordination equilibrium principle,relevant dissociation reaction,complexation reaction,self-...A simulation calculation model for the solubility of insoluble compound MmAa in complex system was established.According to coordination equilibrium principle,relevant dissociation reaction,complexation reaction,self-complexation reaction and protonation reaction during insoluble compound dissolving were considered and then the mass balance equations about solubility calculation were obtained.In the case analysis,the solubility of silver chloride in ammonia system was obtained by simulation calculation,and curved surface charts of thermodynamic equilibrium about the total concentration of silver ions,pH and concentration of ammonia ions were drawn correspondingly.The results show that under the conditions of room temperature and 6 mol/L ammonia concentration,the calculated solubility value of silver chloride(34 g/L) is close to the actual value(31 g/L),demonstrating that this model is suitable for solubility calculation of insoluble compound MmAa in the complex system.展开更多
基金sponsored by the National Nature Science Foundation of China(Nos.41174114 and 41274128)
文摘In order to obtain stable interval Q factor, by analyzing the spectrum of monitoring wavelet and down-going wavelet of zero-offset VSP data and referring the spectrum expression of Ricker wavelet, we propose a new expression of source wavelet spectrum. Basing on the new expression, we present improved amplitude spectral fitting and spectral ratio methods for interval Q inversion based on zero-offset VSP data, and the sequence for processing the zero-offset VSP data. Subsequently, we apply the proposed methods to real zero-offset VSP data, and carry out prestack inverse Q filtering to zero-offset VSP data and surface seismic data for amplitude compensation with the estimated Q value.
基金Supported by National Program on Key Basic Research Project(2011CB606100)the National Natural Science Foundation of China(21406059)
文摘To control the multicomponent reactions in extrusion, reactive-mixing flow in a co-rotating twin screw extruder was numerically studied in the present paper. Effects of initial species distribution, rotating speed and flow rate on a competitive-parallel reaction were investigated and the relationship between mixing and reactions was discussed from the view of chemical reaction engineering. The simulation results show the studied operational parameters, which determine residence time distribution, earliness of mixing and segregation degree of reactive-mixing flows, affect the local species concentration and reaction time and hence have significant influences on the reaction extent. Orthogonal test was adopted to clarify the significance of operational parameters.The analysis shows that initial species distribution and flow rate are the most important factors in the control of reaction extent, and effect of rotating speed is conditional depending on the micro-mixing status of the fluid.
基金Supported by the National Natural Science Foundation of China (No.20406016) and Fujian Petrochemical Company ofSINOPEC (No. MS/FJ-08-JS-15-2005-01).
文摘A comprehensive mechanism for propylene polymerization was proposed by considering the effects of main impurities in the material on propylene polymerization. According to the proposed mechanism, Monte Carlo simulation was employed to investigate the polymerization kinetics in order to determine the effects of the main impurities on the polymerization. Significant influences of the main impurities on the rate, number-average degree and controlling capability of hydrogen of the polymerization were analyzed.
基金Supported by the National Natural Science Foundation of China(U1462206)
文摘A coupled system simulating both firebox and reactor is established to study the naphtha pyrolysis in an industrial tubular furnace.The firebox model is based on zone method including combustion,radiation,and convection to simulate heat transfer in the furnace.A two-dimensional recirculation model is proposed to estimate the flow field in furnace.The reactor model integrates the feedstock reconstruction model,an auto-generator of detail kinetic schemes,and the reactor simulation model to simulate the reaction process in the tubular coil.The coupled simulation result is compared with industrial process and shows agreement within short computation time.
基金the financial support from the National Natural Science Foundation of China(No.2117619)the Shaanxi Province Major Project of Innovation of Science and Technology(No.2008zkc03205,No.2011KTZB03-03-01)
文摘The aim of this paper was preliminary design of the process for low-temperature coal tar hydrocrackmg m supercritical gasoline based on Aspen Plus with the concept of energy self-sustainability. In order to ensure the correct- ness and accuracy of the simulation, we did the following tasks: selecting reasonable model compounds for low-tem- perature coal tar; describing the nature of products gasoline and diesel accurately; and confirming the proper property study method for each block by means of experience and trial. The purpose of energy self-sustainability could be pos- sibly achieved, on one hand, by using hot stream to preheat cold stream and achieving temperature control of streams, and on the other hand, by utilizing gas (byproduct of the coal tar hydrocracking) combustion reaction to provide energy. Results showed that the whole process could provide a positive net power of about 609 kW-h for processing the low- temperature coal tar with a flowrate of 2 268 kg/h. The total heat recovery amounted to 2 229 kW-h, among which 845 kW'h was obtained from the gas combustion reaction, and 1 116 kW'h was provided by the reactor's outlet stream, with the rest furnished by hot streams of the products gasoline, diesel and residue. In addition, the process flow sheet could achieve products separation well, and specifically the purity of product gasoline and diesel reached 97.2% and 100%, respectively.
文摘One-dimensional pseudo-homogeneous model of an axial flow converter and one-dimensional heteroge-neous model of a horizontal converter have been presented, which describe the distribution of gaseous composition,temperature and pressure along the height in the two converters, respectively. Design optimization methods of the two converters have been proposed, by which the minimum catalyst volume can be obtained to satisfy the productive capacity of 1000 tons per day, when the operating pressure is 15.0, 10.0 and 7.5 MPa, respectively.
基金supported by a National Science Foundation of China major project (Grant No. 41190084) funded by the National Natural Science Foundation of Chinathe National Key Technology R&D Program (Grant No. 2012BAC19B07)+2 种基金the International S&T Cooperation Program of the Ministry of Science and Technology of China (Grant No. 2010DFA92720-23)provided by the MOST (Grant No. 2006FY110200)CAS projects (Grant No. KZCX2-YW-301)
文摘Recent studies on glaciers in the West Kunlun Shan, northwest Tibetan Plateau, have shown that they may be stable or retreating slightly. Here, we assess changes in the mass of the glaciers in the West Kunlun Shan(WKS) in an attempt to understand the processes that control their behavior. Glaciers over the recent 40 years(1970-2010) have shrunk 3.4±3.1%in area, based on a comparison between two Chinese glacier inventories. Variations of surface elevations, derived from ICESat-GLAS(Ice, Cloud, and Land Elevation Satellite-Geoscience Laser Altimeter System) elevation products(GLA14 data) using the robust linear-fit method, indicate that the glaciers have been gaining mass at a rate of 0.23±0.24 m w.e./a since 2003. The annual mass budget for the whole WKS range from 2003 to 2009 is estimated to be 0.71±0.62 Gt/a. This gain trend is confirmed by MOD10A1 albedo for the WKS region which shows a descent of the mean snowline altitude from 2003 to 2009.
基金This study was supported by the Major State Basic Research Development Program of China (Grant No. 1999016003).
文摘Populus x canescens was cultivated on solid substrate and treated by salt (150 mM NaCl). The growth parameters including new leaf formation, height increment, diameter at the base increment, fresh and dry mass of leaf, stem, coarse root, and fine root were determined. The nutrient elements in leaves of samples under salt stress and the control, and the chlorophyll fluorescence of plants separated dark and light, initial fluorescence (Fo), and maximum fluorescence (Fro) were measured. Results showed that 150 mM NaCI treatment resulted in growth reduction of Populus x canescens. Nutrient element contents in the foliage of plants under salt stress were different from that of control. The foliar N-concentrations of plants under salt stress were not affected. Contents of Na under salt stress were 120 times as much as that under control. However, contents of S, K, P, Ca, Mg, Fe, Mn under salt stress were less than that under control. Salt stress caused damage in the PSII reaction centers, i.e. photo-inhibition couldn't be repaired under dark situation. The yield of chlorophyll fluorescence showed that several parameters associated with PSII functions, e.g. Fv/Fo, Fv/Fm were not influenced at the first stage of salt stress treatment. However, after a period of time, PSII functions were significantly inhibited, which led to the decrease of carbon assimilation. These results suggest that salt stress (150 mM NaCl) did not affect photosynthetic chlorophyll fluorescence of Populus x canescens immediately. After four day of salt stress, PSII reaction centres were seriously damaged during photo-inhibition.
文摘Cooperative inversion for petroleum reservoir characterization produces an Earth model that fits all available geological, geophysical and reservoir production data to within acceptable error criteria. The mathematical formulation for the inversion requires an appropriate modeling description of both seismic wave propagation and reservoir fluid flow. The inversion requires the minimization of an objective function which is the weighted sum of model misfits for both geophysical and production data. While the complete automation of cooperative inversion may be unrealistic or intractable, geophysical data can provide useful information for enhancing heavy oil production. A methodology is given to demonstrate possible cooperative inversion application in heavy oil reservoirs.
基金supported by the National Natural Science Foundation of China(No.1017405790201011)+1 种基金the Key Project of Chinese Ministry of Education(No.2005-105148)the Research Fund for the Doctoral Program of Higher Education of China(No.20070613058)
文摘The V-shaped electro-optical properties control is investigated by an equivalent circuit model.Simu-lation results show that genuine V-shaped form is only observed at hysteresis inversion frequency,and be-low and above this frequency an anomalous and normal hysteresis are observed.And the inversion fre-quency decreases with the resistance of ferroelectric liquid crystal(FLC)layer following logf_i=-alogR_(LC)+b .The results are in good accordance with the reported experimental results.
文摘Currently, thermal decomposition of hydrocarbons for the production of basic petrochemicals(ethylene, propylene) is carried out in steam-cracking processes. Aside from the conventional method, under consideration are alternative ways purposed for process intensification. In the context of these activities, the method of hightemperature pyrolysis of hydrocarbons in a heat-carrier flow is studied, which differs from previous ones and is based on the ability of an ultra-short time of feedstock/heat-carrier mixing. This enables to study the pyrolysis process at high temperature(up to 1500 K) at the reactor inlet. A set of model experiments is conducted on the lab scale facility. Liquefied petroleum gas(LPG) and naphtha are used as a feedstock. The detailed data are obtained on temperature and product distributions within a wide range of the residence time. A theoretical model based on the detailed kinetics of the process is developed, too. The effect of governing parameters on the pyrolysis process is analyzed by the results of the simulation and experiments. In particular, the optimal temperature is detected which corresponds to the maximum ethylene yield. Product yields in our experiments are compared with the similar ones in the conventional pyrolysis method. In both cases(LPG and naphtha), ethylene selectivity in the fast-mixing reactor is substantially higher than in current technology.
基金The work is supported by Special Funds for State Major Basic Research Projects of China(No.G1999064801)
文摘Three mono-cyclopentadienyl metal complexes, [C_6H_4O_2]CpTiCl (Ⅰ),[C_(12)H_8O_2]CpTiCl (Ⅱ), and [C_(20)H_(12)O_2] CpTiCl (Ⅲ), were prepared via the reactions ofcyclopentadienyl titanium trichloride with catechol, 2,2i-bisphenol, and 2,2'-bisnaphthol,respectively. In the presence of a moderate amount of methylaluminoxane (MAO), the complexesexhibited catalytic activities for ethylene polymerization. Complex Ⅰ showed the highest activityat Al/Ti molar ratio of 500 at the temperature of 30℃. With increasing of polymerizationtemperature, catalytic activities and molecular weight of the obtained polyethylene tended todecrease, and molecular weight distribution of polyethylene became narrower. With the molecularsimulation method, the charges on titanium atoms of complexes Ⅰ, Ⅱ, and Ⅲ, and the bond anglesformed by Ti and bisphenoxy ligands were calculated. It was concluded that the smaller the netcharge on Ti and the smaller the angle of O1―Ti―O2, the higher the activity of the complex.
基金Supported by the Chung Yuan Christian University (CYCU-97-CR-CE)
文摘An isothermal operation is implemented by employing a thermogravimetric analyzer (TGA) for simulating the thermal decomposition behavior of 58μm pine sawdust in air atmosphere.An independent parallel reaction model is adopted in this study to describe the thermal decomposition mechanism.The Weibull distribution function is used to record and analyze the weight loss during isothermal decomposition at different temperatures(500,600,700,and 800°C).The total weight loss of the pine sawdust is assumed as a linear combination of individual weight loss from three components,including the char and two volatile matters.The plot of the thermal decomposition rate curve leads to kinetic parameters such as the reaction rate constants and the reaction order.The results show that the Weibull distribution function successfully represents decomposition curves of three components,and fits the experimental data very well.Therefore,this study provides a simple way to evaluate the decomposition rate of biomass combustion in a real combustor.
文摘Bulk polymerizations of styrene (St) were carried out in the presence of three reversible addition fragmentation chain transfer (RAFT) agents benzyl dithiobenzoate (BDB), cumyl dithiobenzoate(CDB), and 1-phenylethyl dithiobenzoate (PEDB) under low ratio of RAFT agent to initiator. The kinetic model was developed to predict polymerization rate, which indicates that the RAFT polymerization of St is a first-order reaction. In the range of experimental conversions, the plots of -ln(1-x) against time t are approximately linear (x is monomer conversion). The kinetic study reveals the existence of strong rate retardation in RAFT polymerization of styrene. A coefficient K_r is defined to estimate the rate retardation in the RAFT system considering the assumption that the retardation in polymerization rate is mainly attributed to slow fragmentation of the intermediate radicals. K_r relates to the structure of RAFT agents as well as the concentrations of RAFT agent and azobis isobutyronitrile (AIBN). For a certain RAFT agent, the value of K_r is enhanced by the increase in the initial concentration of RAFT agent and the higher ratio of RAFT to AIBN. With the same recipe for different RAFT agents, the increasing trend for the values of K_r is BDB<PEDB<CDB.
基金Project(2007CB613604) supported by the National Basic Research Program of China
文摘A simulation calculation model for the solubility of insoluble compound MmAa in complex system was established.According to coordination equilibrium principle,relevant dissociation reaction,complexation reaction,self-complexation reaction and protonation reaction during insoluble compound dissolving were considered and then the mass balance equations about solubility calculation were obtained.In the case analysis,the solubility of silver chloride in ammonia system was obtained by simulation calculation,and curved surface charts of thermodynamic equilibrium about the total concentration of silver ions,pH and concentration of ammonia ions were drawn correspondingly.The results show that under the conditions of room temperature and 6 mol/L ammonia concentration,the calculated solubility value of silver chloride(34 g/L) is close to the actual value(31 g/L),demonstrating that this model is suitable for solubility calculation of insoluble compound MmAa in the complex system.