The Doppler-limited absorption spectrum of 16O2^＋ cation was observed in the region of 11385-12100 cm^-1 by optical heterodyne velocity modulation absorption spectroscopy （OH-VMS）. The transitions were assigned to ...The Doppler-limited absorption spectrum of 16O2^＋ cation was observed in the region of 11385-12100 cm^-1 by optical heterodyne velocity modulation absorption spectroscopy （OH-VMS）. The transitions were assigned to the （2, 19）, （3, 20）, and （5, 21） bands in the second negative system （A^2∏u-X^2∏g）. All the available lines measured using OH-VMS were global fitted in a nonlinear least-squares fitting procedure, and precise molecular constants （Bv, Av, Dv, pv, qv, γv） were obtained for the involved levels.展开更多
AIM： To investigate the influence of CO2-insufflation pressure on adhesion, invasion and metastatic potential of colon cancer cells based on adhesion molecules expression. METHODS： With an/n vitro artificial pneumop...AIM： To investigate the influence of CO2-insufflation pressure on adhesion, invasion and metastatic potential of colon cancer cells based on adhesion molecules expression. METHODS： With an/n vitro artificial pneumoperitoneum model, SW1116 human colon carcinoma cells were exposed to CO2-insufflation in 5 different pressure groups： 6 mmHg, 9 mmHg, 12 mmHg, 15 mmHg and control group, respectively for 1 h. Expression of E-cadherin, ICAM-I, CD44 and E-selectin was meas- ured at 0, 12, 24, 48 and 72 h after CO2-insufflation using flow cytometry. The adhesion and invasion capacity of SW1116 cells before and after exposure to CO2-insufflation was detected by cell adhesion/invasion assay in vitro. Each group of cells was injected intraperitoneally into 16 BALB/C mice. The number of visible abdominal cavity tumor nodules, visceral metas-tases and survival of the mice were recorded in each group. RESULTS： The expression of E-cadherin, ICAM-1, CD44 and E-selectin in SWl116 cells were changed significantly following exposure to CO2 insufflation at different pressures （P 〈 0.05）. The expression of E-cadherin, CD44 and ICAM-1 decreased with increasing CO2-insufflation pressure. The adhesive/ invasive cells also decreased gradually with increasing pressure as determined by the adhesion/invasion assay. In animal experiments, the number of abdominal cavity tumor nodules in the 15 mmHg group was also significantly lower than that in the 6 mmHg group （29.7± 9.91 vs 41.7±14.90, P = 0.046）. However, the survival in each group was not statistically different. CONCLUSION： CO2-insufflation induced a temporary change in the adhesion and invasion capacity of cancer cells in vitro. Higher CO2-insufflation pressure inhibited adhesion, invasion and metastatic potential in vitro and in vivo, which was associated with reduced expression of adhesion molecules.展开更多
Biogas upgrading for removing CO2 and other trace components from raw biogas is a necessary step before the biogas to be used as a vehicle fuel or supplied to the natural gas grid. In this work, three technologies for...Biogas upgrading for removing CO2 and other trace components from raw biogas is a necessary step before the biogas to be used as a vehicle fuel or supplied to the natural gas grid. In this work, three technologies for biogas upgrading, i.e., pressured water scrubbing(PWS), monoethanolamine aqueous scrubbing(MAS) and ionic liquid scrubbing(ILS), are studied and assessed in terms of their energy consumption and environmental impacts with the process simulation and green degree method. A non-random-two-liquid and Henry's law property method for a CO2 separation system with ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide([bmim][Tf2N]) is established and verified with experimental data. The assessment results indicate that the specific energy consumption of ILS and PWS is almost the same and much less than that of MAS. High purity CO2 product can be obtained by MAS and ILS methods, whereas no pure CO2 is recovered with the PWS. For the environmental aspect, ILS has the highest green degree production value, while MAS and PWS produce serious environmental impacts.展开更多
Direct syngas conversion to light olefins on bifunctional oxide-zeolite(OX-ZEO)catalysts is of great interest to both academia and industry,but the role of oxygen vacancy(Vo)in metal oxides and whether the key interme...Direct syngas conversion to light olefins on bifunctional oxide-zeolite(OX-ZEO)catalysts is of great interest to both academia and industry,but the role of oxygen vacancy(Vo)in metal oxides and whether the key intermediate in the reaction mechanism is ketene or methanol are still not well-understood.To address these two issues,we carry out a theoretical study of the syngas conversion on the typical reducible metal oxide,CeO2,using density functional theory calculations.Our results demonstrate that by forming frustrated Lewis pairs(FLPs),the VOs in CeO2 play a key role in the activation of H2 and CO.The activation of H2 on FLPs undergoes a heterolytic dissociative pathway with a tiny barrier of 0.01 eV,while CO is activated on FLPs by combining with the basic site(O atom)of FLPs to form CO2^2-.Four pathways for the conversion of syngas were explored on FLPs,two of which are prone to form ketene and the other two are inclined to produce methanol suggesting a compromise to resolve the debate about the key intermediates(ketene or methanol)in the experiments.Rate constant calculations showed that the route initiating with the coupling of two CO*into OCCO*and ending with the formation of ketene is the dominant pathway,with the neighboring FLPs playing an important role in this pathway.Overall,our study reveals the function of the surface FLPs in the activation of H2 and CO and the reaction mechanism for the production of ketene and methanol for the first time,providing novel insights into syngas conversion over OX-ZEO catalysts.展开更多
The effect of varying pore structures on the kinetics of S02-CaO reactions is not fully understood in the previous studies. Combining fractal pore model, gas molecular movement model and two-stage reaction model, a ne...The effect of varying pore structures on the kinetics of S02-CaO reactions is not fully understood in the previous studies. Combining fractal pore model, gas molecular movement model and two-stage reaction model, a new desulfurization model is established in this paper. Fractal pore model is used to simulate CaO particle and gas molecular movement model is used to simulate gas diffusion in pores. Fractal dimension is used to characterize complexity of pore structure instead of tortuosity factor. It is found that the reaction is significantly affected by pore structures. A modulus φ is introduced to characterize the relationship between varying pore structures and apparent reaction parameters. And this relationship is verified by thermo-gravimetric analysis （TGA） data. Comparing to the previous models, the effect of varying pore structure on the kinetics of the reaction is described more accurately by the desulfurization model.展开更多
For the last two decades polymeric membranes have been used in several gas separation processes. For the high selectivity and permeability various types of membranes have been developed. Thin layers to high dense and ...For the last two decades polymeric membranes have been used in several gas separation processes. For the high selectivity and permeability various types of membranes have been developed. Thin layers to high dense and hollow fiber to asymmetric wounded materials to determine the effective separation of CO2 from CH4 were used. Ideal membrane materials must have provisions of durability, chemical and thermal resistance, effective separation and economical production and operation. In this review it is observed that most of the polymeric materials face plasticization problem in the separation of CO2 from CH4. This is due to the condensable nature of carbon dioxide that causes swelling in most of the polymeric membranes due to which the efficiency of selectivity and permeability is affected. Most extensive works have been carried out in developing the chemical structure and compositions of polymeric materials to improve the separation properties. Cross-linking and blending of molecular sieving called ＂mixed-matrix＂ are the most useful approaches applied in this regard, but no where it is found to be fully effective and ideal polymeric membranes commercially fit to replace the existing systems of CO2 separation from the natural gas. Still area is open to work on to produce more worth full materials and switch towards liquid membranes and hybrid systems.展开更多
The bonding and electronic structures of oxy-gen molecules adsorbed on Al (001) are theoretically investi-gated from first-principles using the density functional the-ory within the generalization gradient approximati...The bonding and electronic structures of oxy-gen molecules adsorbed on Al (001) are theoretically investi-gated from first-principles using the density functional the-ory within the generalization gradient approximation (GGA) and a supercell approach. The surface is described by means of a 2×2 cell with a thickness of fourteen layers, which con-sist of 9 layers of Al atoms and 5 layers of vacuum. Oxygen molecules are situated on Al surface. The calculated results indicate that oxygen molecules with their axes parallel to the Al surface are the energetically easiest to be adsorbed on Al (001), while those vertical to the Al surface are the most dif-ficult. There are two different processes for the adsorption of oxygen molecules on Al (001), which are O2?(O2)2-?2O-?2O2- and O2?(O2)- ?O2-+O, and their occurrences are strongly dependent on the initial morpholo-gies.展开更多
基金ACKNOWLEDGMENTS This work was supported Science Foundation of China by the National Natural （No.11004062）.
文摘The Doppler-limited absorption spectrum of 16O2^＋ cation was observed in the region of 11385-12100 cm^-1 by optical heterodyne velocity modulation absorption spectroscopy （OH-VMS）. The transitions were assigned to the （2, 19）, （3, 20）, and （5, 21） bands in the second negative system （A^2∏u-X^2∏g）. All the available lines measured using OH-VMS were global fitted in a nonlinear least-squares fitting procedure, and precise molecular constants （Bv, Av, Dv, pv, qv, γv） were obtained for the involved levels.
文摘AIM： To investigate the influence of CO2-insufflation pressure on adhesion, invasion and metastatic potential of colon cancer cells based on adhesion molecules expression. METHODS： With an/n vitro artificial pneumoperitoneum model, SW1116 human colon carcinoma cells were exposed to CO2-insufflation in 5 different pressure groups： 6 mmHg, 9 mmHg, 12 mmHg, 15 mmHg and control group, respectively for 1 h. Expression of E-cadherin, ICAM-I, CD44 and E-selectin was meas- ured at 0, 12, 24, 48 and 72 h after CO2-insufflation using flow cytometry. The adhesion and invasion capacity of SW1116 cells before and after exposure to CO2-insufflation was detected by cell adhesion/invasion assay in vitro. Each group of cells was injected intraperitoneally into 16 BALB/C mice. The number of visible abdominal cavity tumor nodules, visceral metas-tases and survival of the mice were recorded in each group. RESULTS： The expression of E-cadherin, ICAM-1, CD44 and E-selectin in SWl116 cells were changed significantly following exposure to CO2 insufflation at different pressures （P 〈 0.05）. The expression of E-cadherin, CD44 and ICAM-1 decreased with increasing CO2-insufflation pressure. The adhesive/ invasive cells also decreased gradually with increasing pressure as determined by the adhesion/invasion assay. In animal experiments, the number of abdominal cavity tumor nodules in the 15 mmHg group was also significantly lower than that in the 6 mmHg group （29.7± 9.91 vs 41.7±14.90, P = 0.046）. However, the survival in each group was not statistically different. CONCLUSION： CO2-insufflation induced a temporary change in the adhesion and invasion capacity of cancer cells in vitro. Higher CO2-insufflation pressure inhibited adhesion, invasion and metastatic potential in vitro and in vivo, which was associated with reduced expression of adhesion molecules.
基金Supported by the National Basic Research Program of China(2013CB733506,2014CB744306)the National Natural Science Foundation of China(21036007,51274183)
文摘Biogas upgrading for removing CO2 and other trace components from raw biogas is a necessary step before the biogas to be used as a vehicle fuel or supplied to the natural gas grid. In this work, three technologies for biogas upgrading, i.e., pressured water scrubbing(PWS), monoethanolamine aqueous scrubbing(MAS) and ionic liquid scrubbing(ILS), are studied and assessed in terms of their energy consumption and environmental impacts with the process simulation and green degree method. A non-random-two-liquid and Henry's law property method for a CO2 separation system with ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide([bmim][Tf2N]) is established and verified with experimental data. The assessment results indicate that the specific energy consumption of ILS and PWS is almost the same and much less than that of MAS. High purity CO2 product can be obtained by MAS and ILS methods, whereas no pure CO2 is recovered with the PWS. For the environmental aspect, ILS has the highest green degree production value, while MAS and PWS produce serious environmental impacts.
文摘Direct syngas conversion to light olefins on bifunctional oxide-zeolite(OX-ZEO)catalysts is of great interest to both academia and industry,but the role of oxygen vacancy(Vo)in metal oxides and whether the key intermediate in the reaction mechanism is ketene or methanol are still not well-understood.To address these two issues,we carry out a theoretical study of the syngas conversion on the typical reducible metal oxide,CeO2,using density functional theory calculations.Our results demonstrate that by forming frustrated Lewis pairs(FLPs),the VOs in CeO2 play a key role in the activation of H2 and CO.The activation of H2 on FLPs undergoes a heterolytic dissociative pathway with a tiny barrier of 0.01 eV,while CO is activated on FLPs by combining with the basic site(O atom)of FLPs to form CO2^2-.Four pathways for the conversion of syngas were explored on FLPs,two of which are prone to form ketene and the other two are inclined to produce methanol suggesting a compromise to resolve the debate about the key intermediates(ketene or methanol)in the experiments.Rate constant calculations showed that the route initiating with the coupling of two CO*into OCCO*and ending with the formation of ketene is the dominant pathway,with the neighboring FLPs playing an important role in this pathway.Overall,our study reveals the function of the surface FLPs in the activation of H2 and CO and the reaction mechanism for the production of ketene and methanol for the first time,providing novel insights into syngas conversion over OX-ZEO catalysts.
基金Supported by the National Natural Science Foundation of China(51176096)
文摘The effect of varying pore structures on the kinetics of S02-CaO reactions is not fully understood in the previous studies. Combining fractal pore model, gas molecular movement model and two-stage reaction model, a new desulfurization model is established in this paper. Fractal pore model is used to simulate CaO particle and gas molecular movement model is used to simulate gas diffusion in pores. Fractal dimension is used to characterize complexity of pore structure instead of tortuosity factor. It is found that the reaction is significantly affected by pore structures. A modulus φ is introduced to characterize the relationship between varying pore structures and apparent reaction parameters. And this relationship is verified by thermo-gravimetric analysis （TGA） data. Comparing to the previous models, the effect of varying pore structure on the kinetics of the reaction is described more accurately by the desulfurization model.
文摘For the last two decades polymeric membranes have been used in several gas separation processes. For the high selectivity and permeability various types of membranes have been developed. Thin layers to high dense and hollow fiber to asymmetric wounded materials to determine the effective separation of CO2 from CH4 were used. Ideal membrane materials must have provisions of durability, chemical and thermal resistance, effective separation and economical production and operation. In this review it is observed that most of the polymeric materials face plasticization problem in the separation of CO2 from CH4. This is due to the condensable nature of carbon dioxide that causes swelling in most of the polymeric membranes due to which the efficiency of selectivity and permeability is affected. Most extensive works have been carried out in developing the chemical structure and compositions of polymeric materials to improve the separation properties. Cross-linking and blending of molecular sieving called ＂mixed-matrix＂ are the most useful approaches applied in this regard, but no where it is found to be fully effective and ideal polymeric membranes commercially fit to replace the existing systems of CO2 separation from the natural gas. Still area is open to work on to produce more worth full materials and switch towards liquid membranes and hybrid systems.
文摘The bonding and electronic structures of oxy-gen molecules adsorbed on Al (001) are theoretically investi-gated from first-principles using the density functional the-ory within the generalization gradient approximation (GGA) and a supercell approach. The surface is described by means of a 2×2 cell with a thickness of fourteen layers, which con-sist of 9 layers of Al atoms and 5 layers of vacuum. Oxygen molecules are situated on Al surface. The calculated results indicate that oxygen molecules with their axes parallel to the Al surface are the energetically easiest to be adsorbed on Al (001), while those vertical to the Al surface are the most dif-ficult. There are two different processes for the adsorption of oxygen molecules on Al (001), which are O2?(O2)2-?2O-?2O2- and O2?(O2)- ?O2-+O, and their occurrences are strongly dependent on the initial morpholo-gies.
