Molecular dynamics simulations were carried out to study the configuration energy and radial distribution functions of mmonium dihydrogen phosphate solution at different temperatures. The dihydrogen phosphate ion was ...Molecular dynamics simulations were carried out to study the configuration energy and radial distribution functions of mmonium dihydrogen phosphate solution at different temperatures. The dihydrogen phosphate ion was treated as a seven-site model and the ammonium ion was regarded as a five-site model, while a simple-point-charge model for water molecule. An unusually local particle number density fluctuation was observed in the system at saturation temperature. It can be found that the potential energy increases slowly with the temperature from 373 K to 404 K, which indicates that the ammonium dihydrogen phosphate has partly decomposed. The radial distribution function between the hydrogen atom of ammonium cation and the oxygen atom of dihydrogen phosphate ion at three different temperatures shows obvious difference, which indicates that the average H-bond number changes obviously with the temperature. The temperature has an influence on the combination between hydrogen atoms and phosphorus atoms of dihydrogen phosphate ion and there are much more growth units at saturated solutions.展开更多
Molecular dynamics simulations were carried out to study the internal energy and microstructure of potassium dihydrogen phosphates （KDP） solution at different temperatures. The water molecule was treated as a simple...Molecular dynamics simulations were carried out to study the internal energy and microstructure of potassium dihydrogen phosphates （KDP） solution at different temperatures. The water molecule was treated as a simple-point-charge model, while a seven-site model for the dihydrogen phosphate ion was adopted. The internal energy functions and the radial distribution functions of the solution were studied in detail. An unusually large local particle number density fluctuation was observed in the system at saturation temperature. It has been found that the specific heat of oversaturated solution is higher than that of unsaturated solution, which indicates the solution experiences a crystallization process below saturation temperature. The radial distribution function between the oxygen atom of water and the hydrogen atom of the dihydrogen phosphate ion shows a very strong hydrogen bond structure. There are strong interactions between potassium cation and oxygen atom of dihydrogen phosphate ion in KDP solution, and much more ion pairs were formed in saturated solution.展开更多
AIM: To compare the efficacy and acceptance of senna tablet and sodium phosphate solution for bowel preparation before colonoscopy.METHODS: One hundred and thirty four patients, who needed elective colonoscopy, were r...AIM: To compare the efficacy and acceptance of senna tablet and sodium phosphate solution for bowel preparation before colonoscopy.METHODS: One hundred and thirty four patients, who needed elective colonoscopy, were randomly allocated to take 180 mg senna tablet or 95 mL sodium phosphate solution on the day before colonoscopy. The effi cacies of both laxatives were compared using the mean difference of colon-cleanliness score of the rectum, sigmoid segments, descending colon, transverse colon and cecum. The scores were rated by two observers who were blinded to the laxatives administered. The higher score means that the colon is cleaner. The efficacy of both laxatives were equivalent if the 95% confidence interval of the mean difference of the score of colon lie within -1 to +1. RESULTS: On intention-to-treat analysis, the mean cleanliness scores in the four segments of colon except the cecum were higher in the sodium phosphate group than those in senna group (7.9 ± 1.7 vs 8.3 ± 1.5, 8.0 ± 1.8 vs 8.5 ± 1.4, 7.9 ± 2.0 vs 8.5 ± 1.3, 7.9 ± 2.0 vs 8.2 ± 1.4 and 7.2 ± 1.7 vs 6.9 ± 1.4, respectively). The 95% conf idence intervals (95% CI) of mean difference in each segment of colon were not found to lie within 1 point which indicated that their effi cacies were not equivalent. The taste of senna was better than sodium phosphate solution. Also, senna had fewer side effects. CONCLUSION: The effi cacy of senna is not equivalentto sodium phosphate solution in bowel preparation for colonoscopy, but senna may be considered an alternative laxative.展开更多
The products of monoammonium phosphate containing Cr^3+resulted in disqualification,and further posed a serious threat to ecological environment and human beings.Herein,the porous adsorbent of fluor(calcium silicate)c...The products of monoammonium phosphate containing Cr^3+resulted in disqualification,and further posed a serious threat to ecological environment and human beings.Herein,the porous adsorbent of fluor(calcium silicate)composites(FCSc)was prepared by hydrothermal method using diatomaceous earth,hydrated lime and additive(NaF)as raw materials,which was characterized and used for the removal of Cr^3+from monoammonium phosphate solutions.The effects of different parameters,such as solution pH,initial Cr^3+concentration,temperature and contact time on the adsorption of Cr^3+onto FCSc were investigated in details.The results indicated that the adsorption process was in agreement with the pseudo-second-order kinetic model and Freundlich isotherm.The spontaneous and endothermic nature of the adsorption process was obtained by analyzing various thermodynamic parameters(△G0,△H0,and△S0).In addition,computational monte carlo simulations between Cr3+ions and FCSc were conducted to elucidate the adsorption mechanism.Such kind of porous adsorbent provided a potential application in the removal of impurities from monoammonium phosphate industry.展开更多
Lithium(Li)is an important energy metal in the 21st century.However,the selective recovery of Li is still a big challenge,especially from acidic solutions with multiple metal ions existence.Herein we report a new ion ...Lithium(Li)is an important energy metal in the 21st century.However,the selective recovery of Li is still a big challenge,especially from acidic solutions with multiple metal ions existence.Herein we report a new ion pair induced mechanism for selectively extracting Li^(+)from acidic chloride solutions by tributyl phosphate(TBP).It is shown that the acidity and the chloride ions in the aqueous phase have great effects on the extraction of Li^(+).The FT-IR,UV-Vis and ESI-MS experiments provide solid evidence for the formation of ion-pair complex[Li(TBP)_n(H_(2)O)_(m)]^(+)[FeCl_(4)]^(-)(n-1,2,3;m-0,1)in the organic phase,which brings about the effective and efficient extraction of Li^(+).This mechanism can overcome the Hofmeister bias and allow for the selective extraction of Li^(+) from the extremely hydrophilic chlorides.It has also been proved that the loaded Li in TBP can be effectively stripped by concentrated HCl solution with a Li/Fe separation factor>500.The understanding of the ion-pair transport mechanism is helpful for optimizing the recovery process or further advancing more efficient recovery techniques for Li from acidic liquor.展开更多
A LiCaPO4:Eu2+ phosphor with high photoluminescence was synthesized using a polymerizable complex (PC) method employing a water-soluble polyethylene glycol-conjugated phosphate ester (PEG-P). PEG-P could be obtained f...A LiCaPO4:Eu2+ phosphor with high photoluminescence was synthesized using a polymerizable complex (PC) method employing a water-soluble polyethylene glycol-conjugated phosphate ester (PEG-P). PEG-P could be obtained from a reaction among polyethylene glycol 300, phosphorus pentoxide, and pyrophosphoric acid. The PEG-P prepared was stable in an aqueous condition. A transparent solution and gel were obtained when the PEG-P was used as a source of P during the PC method, whereas the use of H3PO4 caused an undesirable precipitate. The LiCaPO4:Eu2+ obtained via the PC method employing the PEG-P showed higher emission intensity than those synthesized by a solid state reaction method and the PC method employing H3PO4. The high luminescence properties of the sample synthesized using the PEG-P may be attributed to high homogeneity of constituents in the sample.展开更多
文摘Molecular dynamics simulations were carried out to study the configuration energy and radial distribution functions of mmonium dihydrogen phosphate solution at different temperatures. The dihydrogen phosphate ion was treated as a seven-site model and the ammonium ion was regarded as a five-site model, while a simple-point-charge model for water molecule. An unusually local particle number density fluctuation was observed in the system at saturation temperature. It can be found that the potential energy increases slowly with the temperature from 373 K to 404 K, which indicates that the ammonium dihydrogen phosphate has partly decomposed. The radial distribution function between the hydrogen atom of ammonium cation and the oxygen atom of dihydrogen phosphate ion at three different temperatures shows obvious difference, which indicates that the average H-bond number changes obviously with the temperature. The temperature has an influence on the combination between hydrogen atoms and phosphorus atoms of dihydrogen phosphate ion and there are much more growth units at saturated solutions.
文摘Molecular dynamics simulations were carried out to study the internal energy and microstructure of potassium dihydrogen phosphates （KDP） solution at different temperatures. The water molecule was treated as a simple-point-charge model, while a seven-site model for the dihydrogen phosphate ion was adopted. The internal energy functions and the radial distribution functions of the solution were studied in detail. An unusually large local particle number density fluctuation was observed in the system at saturation temperature. It has been found that the specific heat of oversaturated solution is higher than that of unsaturated solution, which indicates the solution experiences a crystallization process below saturation temperature. The radial distribution function between the oxygen atom of water and the hydrogen atom of the dihydrogen phosphate ion shows a very strong hydrogen bond structure. There are strong interactions between potassium cation and oxygen atom of dihydrogen phosphate ion in KDP solution, and much more ion pairs were formed in saturated solution.
文摘AIM: To compare the efficacy and acceptance of senna tablet and sodium phosphate solution for bowel preparation before colonoscopy.METHODS: One hundred and thirty four patients, who needed elective colonoscopy, were randomly allocated to take 180 mg senna tablet or 95 mL sodium phosphate solution on the day before colonoscopy. The effi cacies of both laxatives were compared using the mean difference of colon-cleanliness score of the rectum, sigmoid segments, descending colon, transverse colon and cecum. The scores were rated by two observers who were blinded to the laxatives administered. The higher score means that the colon is cleaner. The efficacy of both laxatives were equivalent if the 95% confidence interval of the mean difference of the score of colon lie within -1 to +1. RESULTS: On intention-to-treat analysis, the mean cleanliness scores in the four segments of colon except the cecum were higher in the sodium phosphate group than those in senna group (7.9 ± 1.7 vs 8.3 ± 1.5, 8.0 ± 1.8 vs 8.5 ± 1.4, 7.9 ± 2.0 vs 8.5 ± 1.3, 7.9 ± 2.0 vs 8.2 ± 1.4 and 7.2 ± 1.7 vs 6.9 ± 1.4, respectively). The 95% conf idence intervals (95% CI) of mean difference in each segment of colon were not found to lie within 1 point which indicated that their effi cacies were not equivalent. The taste of senna was better than sodium phosphate solution. Also, senna had fewer side effects. CONCLUSION: The effi cacy of senna is not equivalentto sodium phosphate solution in bowel preparation for colonoscopy, but senna may be considered an alternative laxative.
基金the National Natural Science Foundation of China(U1633203)the Major Project of the Civil Aviation Administration of China(J2020-108)。
文摘The products of monoammonium phosphate containing Cr^3+resulted in disqualification,and further posed a serious threat to ecological environment and human beings.Herein,the porous adsorbent of fluor(calcium silicate)composites(FCSc)was prepared by hydrothermal method using diatomaceous earth,hydrated lime and additive(NaF)as raw materials,which was characterized and used for the removal of Cr^3+from monoammonium phosphate solutions.The effects of different parameters,such as solution pH,initial Cr^3+concentration,temperature and contact time on the adsorption of Cr^3+onto FCSc were investigated in details.The results indicated that the adsorption process was in agreement with the pseudo-second-order kinetic model and Freundlich isotherm.The spontaneous and endothermic nature of the adsorption process was obtained by analyzing various thermodynamic parameters(△G0,△H0,and△S0).In addition,computational monte carlo simulations between Cr3+ions and FCSc were conducted to elucidate the adsorption mechanism.Such kind of porous adsorbent provided a potential application in the removal of impurities from monoammonium phosphate industry.
基金supported by the National Natural Science Foundation of China(21706257,21878180)the Shanxi Province Coal Based Low-carbon Technology Major Projects(MC2016-05)the Xiangyuan Key Technology Research Projects(2018XYSDYY-02)。
文摘Lithium(Li)is an important energy metal in the 21st century.However,the selective recovery of Li is still a big challenge,especially from acidic solutions with multiple metal ions existence.Herein we report a new ion pair induced mechanism for selectively extracting Li^(+)from acidic chloride solutions by tributyl phosphate(TBP).It is shown that the acidity and the chloride ions in the aqueous phase have great effects on the extraction of Li^(+).The FT-IR,UV-Vis and ESI-MS experiments provide solid evidence for the formation of ion-pair complex[Li(TBP)_n(H_(2)O)_(m)]^(+)[FeCl_(4)]^(-)(n-1,2,3;m-0,1)in the organic phase,which brings about the effective and efficient extraction of Li^(+).This mechanism can overcome the Hofmeister bias and allow for the selective extraction of Li^(+) from the extremely hydrophilic chlorides.It has also been proved that the loaded Li in TBP can be effectively stripped by concentrated HCl solution with a Li/Fe separation factor>500.The understanding of the ion-pair transport mechanism is helpful for optimizing the recovery process or further advancing more efficient recovery techniques for Li from acidic liquor.
文摘A LiCaPO4:Eu2+ phosphor with high photoluminescence was synthesized using a polymerizable complex (PC) method employing a water-soluble polyethylene glycol-conjugated phosphate ester (PEG-P). PEG-P could be obtained from a reaction among polyethylene glycol 300, phosphorus pentoxide, and pyrophosphoric acid. The PEG-P prepared was stable in an aqueous condition. A transparent solution and gel were obtained when the PEG-P was used as a source of P during the PC method, whereas the use of H3PO4 caused an undesirable precipitate. The LiCaPO4:Eu2+ obtained via the PC method employing the PEG-P showed higher emission intensity than those synthesized by a solid state reaction method and the PC method employing H3PO4. The high luminescence properties of the sample synthesized using the PEG-P may be attributed to high homogeneity of constituents in the sample.
