Covalent organic frameworks(COFs)are a novel type of crystalline porous organic polymer materials recently developed.It has several advantages in chromatographic separation field,such as high thermal stability,porosit...Covalent organic frameworks(COFs)are a novel type of crystalline porous organic polymer materials recently developed.It has several advantages in chromatographic separation field,such as high thermal stability,porosity,structural regularity,and large specific surface area.Here,a novel spherical COF 1,3,5-tris(4-aminophenyl)benzene(TAPB)and 2,5-bis(2-propyn-1-yloxy)-1,4-benzenedicarboxaldehyde(BPTA)was developed as an electrochromatographic stationary phase for capillary electrochromatography separation.The COF TAPB-BPTA modified capillary column was fabricated via a facile in situ growth method at room temperature.The characterization results of scanning electron microscopy(SEM),Fourier transform infrared(FT-IR)spectroscopy,and X-ray diffraction(XRD)confirmed that COF TAPB-BPTA were successfully modified onto the capillary inner surface.The electrochromatography separation performance of the COF TAPB-BPTA modified capillary was investigated.The prepared column demonstrated outstanding separation performance toward alkylbenzenes,phenols,and chlorobenzenes compounds.Furthermore,the baseline separations of non-steroidal anti-inflammatory drugs(NSAIDs)and parabens with good efficiency and high resolution were achieved.Also,the prepared column possessed satisfactory precision of the intra-day runs(n=5),inter-day runs(n=3),and parallel columns(n=3),and the relative standard deviations(RSDs)of the retention times of tested alkylbenzenes were all less than 2.58%.Thus,this new COF-based stationary phase shows tremendous application potential in chromatographic separation field.展开更多
Material irradiation effect plays an important role in material science.However,it is lack of high-throughput irradiation facility and process of evolution and development,which lead to lack of basic scientific theory...Material irradiation effect plays an important role in material science.However,it is lack of high-throughput irradiation facility and process of evolution and development,which lead to lack of basic scientific theory about atomic scale materials design and development guidance.High-performance computing for simulation makes deeply understanding of micro-level-material possible.In this paper,a new data structure is proposed for the parallel simulation of metal materials evolution with crystal structure under irradiation defects.Compared with LAMMPS and IMD,which are two popular molecular dynamic simulation versions,our method takes much less memory on multi-core clusters.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.:82073808,81872828,and 81573384).
文摘Covalent organic frameworks(COFs)are a novel type of crystalline porous organic polymer materials recently developed.It has several advantages in chromatographic separation field,such as high thermal stability,porosity,structural regularity,and large specific surface area.Here,a novel spherical COF 1,3,5-tris(4-aminophenyl)benzene(TAPB)and 2,5-bis(2-propyn-1-yloxy)-1,4-benzenedicarboxaldehyde(BPTA)was developed as an electrochromatographic stationary phase for capillary electrochromatography separation.The COF TAPB-BPTA modified capillary column was fabricated via a facile in situ growth method at room temperature.The characterization results of scanning electron microscopy(SEM),Fourier transform infrared(FT-IR)spectroscopy,and X-ray diffraction(XRD)confirmed that COF TAPB-BPTA were successfully modified onto the capillary inner surface.The electrochromatography separation performance of the COF TAPB-BPTA modified capillary was investigated.The prepared column demonstrated outstanding separation performance toward alkylbenzenes,phenols,and chlorobenzenes compounds.Furthermore,the baseline separations of non-steroidal anti-inflammatory drugs(NSAIDs)and parabens with good efficiency and high resolution were achieved.Also,the prepared column possessed satisfactory precision of the intra-day runs(n=5),inter-day runs(n=3),and parallel columns(n=3),and the relative standard deviations(RSDs)of the retention times of tested alkylbenzenes were all less than 2.58%.Thus,this new COF-based stationary phase shows tremendous application potential in chromatographic separation field.
文摘Material irradiation effect plays an important role in material science.However,it is lack of high-throughput irradiation facility and process of evolution and development,which lead to lack of basic scientific theory about atomic scale materials design and development guidance.High-performance computing for simulation makes deeply understanding of micro-level-material possible.In this paper,a new data structure is proposed for the parallel simulation of metal materials evolution with crystal structure under irradiation defects.Compared with LAMMPS and IMD,which are two popular molecular dynamic simulation versions,our method takes much less memory on multi-core clusters.
