Polyphenols were obtained from the natural dried Lonicerae flos by ultrasound-assisted extraction with ethanol as the solvent.Single factor experiment and response surface methodology were employed to optimize the ext...Polyphenols were obtained from the natural dried Lonicerae flos by ultrasound-assisted extraction with ethanol as the solvent.Single factor experiment and response surface methodology were employed to optimize the extraction conditions.Ultra-performance liquid chromatrography(UPLC)-tandem mass spectrometry(MS/MS)was employed to identify polyphenols based on the plant widely targeted metabolomics database in a qualitative and quantitative manner.The results showed that the optimal extraction conditions for total phenols from Lonicerae flos were ultrasound-assisted extraction with a solid-to-liquid ratio of 10∶1 g/mL and 57%ethanol at 70 W and 60°C for 11 min.The yield of total phenols extracted under the optimal conditions reached 71.08 mg/g.The phenols in Lonicerae flos were mainly chlorogenic acid isomers,and the flavonoids were mainly nobiletin,galuteolin,and homoarbutin.展开更多
A numerical simulation based on a regularized phase field model is developed to describe faceted dendrite growth morphology. The effects of mesh grid, anisotropy, supersaturation and fold symmetry on dendrite growth m...A numerical simulation based on a regularized phase field model is developed to describe faceted dendrite growth morphology. The effects of mesh grid, anisotropy, supersaturation and fold symmetry on dendrite growth morphology were investigated, respectively. These results indicate that the nucleus grows into a hexagonal symmetry faceted dendrite. When the mesh grid is above 640×640, the size has no much effect on the shape. With the increase in the anisotropy value, the tip velocities of faceted dendrite increase and reach a balance value, and then decrease gradually. With the increase in the supersaturation value, crystal evolves from circle to the developed faceted dendrite morphology. Based on the Wulff theory and faceted symmetry morphology diagram, the proposed model was proved to be effective, and it can be generalized to arbitrary crystal symmetries.展开更多
BN interphase was successfully synthesized on SiC fiber fabrics by dip-coating process using boric acid and urea as precursors under N2 atmosphere. The morphology of BN interphase was observed by SEM, and the structur...BN interphase was successfully synthesized on SiC fiber fabrics by dip-coating process using boric acid and urea as precursors under N2 atmosphere. The morphology of BN interphase was observed by SEM, and the structure was characterized by XRD and FT-IR spectra. The SiCf/SiC composites with dip-coated BN interphase were fabricated by chemical vapor infiltration (CVI) process, and the effects ofBN interphase on the mechanical properties of composites were investigated. The results show that the SiC fibers are fully covered by BN interphase with smooth surface and turbostratic structure (t-BN), and the thickness is about 0.4 μm. The flexural strengths of SiCf/SiC composites with and without BN interphase are about 180 and 95 MPa, respectively. Compared with the as-received SiCf/SiC composites, the composites with BN interphase exhibit an obvious toughened fracture behavior. From the microstructural analysis, it can be confirmed that the BN interphase plays a key part in protecting the fibers from chemical attack during matrix infiltration and weakening interfacial bonding, which can improve the mechanical properties of SiCf/SiC composites remarkably.展开更多
An optical technique for 3 D shape measurement is presented. This technique, based on a deformed projected grating pattern which carries 3 D information of the measured object, can automatically and accurately obtain ...An optical technique for 3 D shape measurement is presented. This technique, based on a deformed projected grating pattern which carries 3 D information of the measured object, can automatically and accurately obtain the phase map of a measured object by using one step phase shift algorithm.In comparison with traditional phase shift technique, the technique is much faster, with the equivalent accuracy. Only one frame image is sufficient for measuring. Experimental result of typical object is presented.展开更多
Three kinds of ultra-fine Ce2O(CO3)2·H2O powders with different morphologies were prepared by adding CTAB, PEG19000 and OP-10 to a solution of Ce2O(NO3)3·6H2O and urea according to the principle and the ...Three kinds of ultra-fine Ce2O(CO3)2·H2O powders with different morphologies were prepared by adding CTAB, PEG19000 and OP-10 to a solution of Ce2O(NO3)3·6H2O and urea according to the principle and the characteristics of the homogeneous precipitation method. The products were characterized by TEM and XRD. The results showed that the precursor was a single crystal, and that different surfactants had different influences on the morphology of the products. The cationic surfactant CTAB had little effect on crystal morphology merely reducing its size. Nonionic surfactants PEG19000 and OP-10 are both able to change the crystal morphology to a much greater extent. Adding PEG19000 produces an array of rod-like particles with ordered formation and uniform dimension. Meanwhile, in the system of OP-10, a sort of flower-like pattern with a dispersed center can be prepared. The formations of ultra-fine Ce2O(CO3)2·H2O powders with different morphologies occured because of the mechanism of formation and grain growth.展开更多
Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the ...Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.展开更多
In recent years,oil spill accidents occur frequently in the marine area of China.Finding out the spilled oil source is a key step in the relevant investigation.In this paper,a step-by-step fingerprinting identificatio...In recent years,oil spill accidents occur frequently in the marine area of China.Finding out the spilled oil source is a key step in the relevant investigation.In this paper,a step-by-step fingerprinting identification method was used in a spilled oil accident in the Bohai Sea in 2002.Advanced chemical fingerprinting and data interpretation techniques were used to characterize the chemical composition and determine the possible sources of two spilled oil samples.The original gas chromatography -flame ionization detec-tion (GC-FID) chromatogram of saturated hydrocarbons was compared.The gas chromatography-mass spectrometry (GC/MS) chromatograms of aromatic hydrocarbons terpane and sterane,n-alkane and poly-aromatic hydrocarbons (PAHs) were analyzed.The correlation analysis on diagnostic ratios was performed with Student’s t-test.It is found that the oil fingerprinting of the spilled oil (designated as sz1) from the polluted sand beach was identical with the suspected oil (designated as ky1) from a nearby crude oil refinery factory.They both showed the fingerprinting character of mixed oil.The oil fingerprinting of the spilled oil (designated as ms1) collected from the port was significantly different from oil ky1 and oil sz1 and was with a lubricating oil fingerprint character.The identification result not only gave support for the spilled oil investigation,but also served as an example for studying spilled oil accidents.展开更多
Based on the bulk free energy density and the degenerate mobility constructed by the quartic double-well potential function,a phase field model is established to simulate the evolution of intragranular microvoids due ...Based on the bulk free energy density and the degenerate mobility constructed by the quartic double-well potential function,a phase field model is established to simulate the evolution of intragranular microvoids due to surface diffusion in a stress field.The corresponding phase field governing equations are derived.The evolution of elliptical microvoids with different stressesΛ,aspect ratiosβand linewidths hˉis calculated using the mesh adaptation finite element method and the reliability of the procedure is verified.The results show that there exist critical values of the stressΛc,the aspect ratioβc and the linewidth hˉc of intragranular microvoids under equivalent biaxial tensile stress.When Λ≥Λ_(c),β≥β_(c) or h≤h_(c),the elliptical microvoids are instable with an extending crack tip.WhenΛ<Λ_(c),β<β_(c) or hˉ>h_(c),the elliptical microvoids gradually cylindricalize and remain a stable shape.The instability time decreases with increasing the stress or the aspect ratio,while increases with increasing the linewidth.In addition,for the interconnects containing two elliptical voids not far apart,the stress will promote the merging of the voids.展开更多
Three kinds of polysaccharides: GFW, GFH and GFA, were sequentially extracted from a red alga Gloiopeltisfurcata with 25℃ and 85℃ water, and 60℃ 4% NaOH water solution. Based on the defatted alga, the yields of th...Three kinds of polysaccharides: GFW, GFH and GFA, were sequentially extracted from a red alga Gloiopeltisfurcata with 25℃ and 85℃ water, and 60℃ 4% NaOH water solution. Based on the defatted alga, the yields of the polysaccharide were 57.9%, 2.5% and 2.6%, respectively. Their monosaccharide compositions, average molecular weights and structural characters were determined by gas chromatography (GC), high performance liquid chromatography (HPLC), fourier transform infrared spectroscopy (FTIR) or ^13C-NMR spectroscopy. The results showed that GFW, GFH and GFA were all composed of D-galactose (Gal) and 3,6-anhydro-L-galactose (AnG), and particularly GFA also contained xylose (Xyl). The average molecular weights of GFW, GFH and GFA were 22.6 kD, 26.5 kD and 49.8 kD, respectively, with the respective sulfate content 31.2%, 25.1% and 22.7%. The data of FTIR and ^13C-NMR confirmed the sulfate ester location at C6 ofgalactose. It is concluded that all the three polysaecharides extracted from Gloiopeltisfurcata were sulfated galactans, two being sulfated-agarose, and one being xylose-containing sulfated galactan.展开更多
The knowledge of bubble profiles in gas-liquid two-phase flows is crucial for analyzing the kinetic processes such as heat and mass transfer, and this knowledge is contained in field data obtained by surface-resolved ...The knowledge of bubble profiles in gas-liquid two-phase flows is crucial for analyzing the kinetic processes such as heat and mass transfer, and this knowledge is contained in field data obtained by surface-resolved computational fluid dynamics (CFD) simulations. To obtain this information, an efficient bubble profile reconstruction method based on an improved agglomerative hierarchical clustering (AHC) algorithm is proposed in this paper. The reconstruction method is featured by the implementations of a binary space division preprocessing, which aims to reduce the computational complexity, an adaptive linkage criterion, which guarantees the applicability of the AHC algorithm when dealing with datasets involving either non-uniform or distorted grids, and a stepwise execution strategy, which enables the separation of attached bubbles. To illustrate and verify this method, it was applied to dealing with 3 datasets, 2 of them with pre-specified spherical bubbles and the other obtained by a surface-resolved CFD simulation. Application results indicate that the proposed method is effective even when the data include some non-uniform and distortion.展开更多
A new method of 360° turning 3D shape measurement in which light sectioning and phase shifting techniques are both used is presented in this paper.A sine light field is applied in the projected light stripe,meanw...A new method of 360° turning 3D shape measurement in which light sectioning and phase shifting techniques are both used is presented in this paper.A sine light field is applied in the projected light stripe,meanwhile phase shifting technique is used to calculate phase of the light slit.Thereafter wrapped phase distribution of the slit is formed and the unwrapping process will be made by means of the height information based on the light sectioning method.Therefore phase measuring results with better precision can be obtained.At last the target 3D shape data can be produced according to geometric relationships between phases and the object heights.The principles of this method are discussed in detail and experimental results are shown in this paper.展开更多
Lattice constants, total energies and densities of states of transition metals Fe, Ru and Os with BCC, FCC and HCP structures were calculated by the GGA+PBE functional and the ultrasoft pseudo-potential plane wave met...Lattice constants, total energies and densities of states of transition metals Fe, Ru and Os with BCC, FCC and HCP structures were calculated by the GGA+PBE functional and the ultrasoft pseudo-potential plane wave method, and compared with those of the first-principles projector augmented wave (PAW) method, CALPHAD method and experimental data. The results show that the lattice stability of this work is △GBCC-HCP>△GFCC-HCP>0, agreeing well with those of PAW method in the first-principles and CALPHAD method except for BCC-Fe. And the densities of state of HCP-Ru and Os have an obvious character of stable phase, agreeing completely with the results of the total energy calculations. Further analyses of atomic population show that the transition rate of electrons from s to p state for HCP, FCC and BCC crystals increases from Fe to Os, and a stronger cohesion, a higher cohesive energy or a more stable lattice between atoms of heavier metals are formed.展开更多
Surface sediments and bivalves were collected from the Changjiang Estuary in December 2003 and November 2004, respectively. Polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) in these samples were mea...Surface sediments and bivalves were collected from the Changjiang Estuary in December 2003 and November 2004, respectively. Polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) in these samples were measured with high-resolution chromatography (HRGC)/High Resolution Mass Spectrometer (HRMS). The concentrations of total PCDD/Fs and toxic equivalent (TEQ) were 169.83±119.63 and 0.81±0.36 pg/g dry weight (dw) in sediments, and 580.33±240.17 and 7.24±3.65 pg/g dw in bivalves. The homolog compositions of PCDD/Fs were similar among samples, the most abundant congener was octa-chlorinated dibenzo-p-dioxin (OCDD) and then octa-chlorinated dibenzofuran (OCDF) and 1,2,3,4,6,7,8-hepta-chlorinated dibenzo-p-dioxin (HpCDD). The herbicide pentachlorophenol (PCP) and sodium pentachlorophenol (Na-PCP) were proved the main source of PCDD/Fs in this area.展开更多
Recently, we proposed the extended phenomenological kinetics (XPK) method, which overcomes the notorious timescale separation difficulty between fast diffusion and slow chemical reactions in conventional kinetic Monte...Recently, we proposed the extended phenomenological kinetics (XPK) method, which overcomes the notorious timescale separation difficulty between fast diffusion and slow chemical reactions in conventional kinetic Monte Carlo (KMC) simulations. In the present work, we make a comprehensive comparison, based on the newly developed XPK package, between the XPK method and the conventional KMC method using a model hydrogenation reaction system. Two potential energy surfaces with different lateral interactions have been designed to illustrate the advantages of the XPK method in computational costs, parallel efficiency and the convergence behaviors to steady states. The XPK method is shown to be efficient and accurate, holding the great promise for theoretical modelling in heterogeneous catalysis, in particular, when the role of the lateral interactions among adsorbates is crucial.展开更多
Ion mobility spectra for ten alcohols have been studied in an ion mobility spectrometry apparatus equipped with a corona discharge ionization source. Using protonated water cluster ions as the reactant ions and clean ...Ion mobility spectra for ten alcohols have been studied in an ion mobility spectrometry apparatus equipped with a corona discharge ionization source. Using protonated water cluster ions as the reactant ions and clean air as the drift gas, the alcohols exhibit different product ion characteristic peaks in their ion mobility spectra. The detection limit for these alcohols is at low concentration pmol/L level according to the concentration calibration by exponential dilution method. Based on the measured ion mobilities, several chemical physics parameters of the ion-molecular interaction at atmosphere were obtained, including the ionic collision cross sections, diffusion coefficients, collision rate constants, and the ionic radii under the hard-sphere model approximation.展开更多
The phase diagram of ZrO_(2)−CaO−TiO_(2)system was essential for the development of photocatalytic materials and refractory materials.In this work,the ZrO_(2)−CaO−TiO_(2)system was accessed by using the CALPHAD method...The phase diagram of ZrO_(2)−CaO−TiO_(2)system was essential for the development of photocatalytic materials and refractory materials.In this work,the ZrO_(2)−CaO−TiO_(2)system was accessed by using the CALPHAD method.The substitutional solution models were used to describe liquid and solid solution phases,the sub-lattice models were used to describe ternary compounds,and then the thermodynamic parameters were obtained by the least square method combined with literature experiment results.The acquired thermodynamic parameters were used to calculate the isothermal sections of the ZrO_(2)−CaO−TiO_(2)system at 1473 and 1673 K.There existed a good agreement between experimental and predicted phase relationships,the experimental points which were inconsistent with calculated results may be attributed to experimental errors and the sluggish kinetics of cations for ZrO_(2)-based materials.In order to further verify the validity of the database,the thermodynamic parameters were also used to simulate the thermodynamic properties(specific heat capacity,enthalpy,and entropy)of CaZrTi_(2)O_(7) within 5%errors.Good consistency demonstrated that the present thermodynamic database was self-consistent and credible.展开更多
The acrylamide level of some commercial bread assortments have been evaluated. The influence of several flour types on the content of acrylamide in 14 samples of bread, purchased from 5 different suppliers from the ma...The acrylamide level of some commercial bread assortments have been evaluated. The influence of several flour types on the content of acrylamide in 14 samples of bread, purchased from 5 different suppliers from the market in Bucharest, Romania was studied. For all bread assortments which have been analyzed for acrylamide, the International Commission of Illumination (CIELab) parameters, L*, a* and b* have been also measured in an attempt to correlate the colour of the final product with its acrylamide content. Determination of acrylamide in bread samples was performed by Gas Chromatography coupled with tandem Mass Spectrometry (GC-MS/MS), using isotope dillution calibration after derivatization (bromination). The results revealed that the acrylamide level vary between bread assortments of different brands and bread assortments of same brand, but different lots. In the case of commercial bread samples, the use of whole wheat flours lead to formation of higher quantity in acrylamide (165.53 μg/kg), compared to the use of white wheat flours (28.02μg/kg).展开更多
In order to determine the dynamic stress intensity factors(DSIFs)for a single edge crack at the center hole of a finite plate under a compressive step loading parallel to the crack,the finite element method was employ...In order to determine the dynamic stress intensity factors(DSIFs)for a single edge crack at the center hole of a finite plate under a compressive step loading parallel to the crack,the finite element method was employed to solve the cracked plate problem.The square-root stress singularity around the crack tip was simulated by quarter point singular elements collapsed by 8-node two-dimensional isoparametric elements.The DSIFs with and without considering crack face contact situations were evaluated by using the displacement correlation technique,and the influence of contact interaction between crack surfaces on DSIFs was investigated.The numerical results show that if the contact interaction between crack surfaces is ignored,the negative mode I DSIFs may be obtained and a physically impossible interpenetration or overlap of the crack surfaces will occur.Thus the crack face contact has a significant influence on the mode I DSIFs.展开更多
基金Supported by Agricultural Science and Technology Innovation Fund Project of Hunan Province(2022CX87)Huaihua Municipal Institute of Science and Technology Cooperation Project(2022N1203)Science and Technology Talent Lifting Project of Hunan Province—Training Plan for Young and Middle-aged Scholars(2023TJ-Z01)。
文摘Polyphenols were obtained from the natural dried Lonicerae flos by ultrasound-assisted extraction with ethanol as the solvent.Single factor experiment and response surface methodology were employed to optimize the extraction conditions.Ultra-performance liquid chromatrography(UPLC)-tandem mass spectrometry(MS/MS)was employed to identify polyphenols based on the plant widely targeted metabolomics database in a qualitative and quantitative manner.The results showed that the optimal extraction conditions for total phenols from Lonicerae flos were ultrasound-assisted extraction with a solid-to-liquid ratio of 10∶1 g/mL and 57%ethanol at 70 W and 60°C for 11 min.The yield of total phenols extracted under the optimal conditions reached 71.08 mg/g.The phenols in Lonicerae flos were mainly chlorogenic acid isomers,and the flavonoids were mainly nobiletin,galuteolin,and homoarbutin.
基金Projects(11102164,11304243)supported by the National Natural Science Foundation of ChinaProject(2014JQ1039)supported by the Natural Science Foundation of Shannxi Province,China+1 种基金Project(3102016ZY027)supported by the Fundamental Research Funds for the Central Universities of ChinaProject(13GH014602)supported by the Program of New Staff and Research Area Project of NWPU,China
文摘A numerical simulation based on a regularized phase field model is developed to describe faceted dendrite growth morphology. The effects of mesh grid, anisotropy, supersaturation and fold symmetry on dendrite growth morphology were investigated, respectively. These results indicate that the nucleus grows into a hexagonal symmetry faceted dendrite. When the mesh grid is above 640×640, the size has no much effect on the shape. With the increase in the anisotropy value, the tip velocities of faceted dendrite increase and reach a balance value, and then decrease gradually. With the increase in the supersaturation value, crystal evolves from circle to the developed faceted dendrite morphology. Based on the Wulff theory and faceted symmetry morphology diagram, the proposed model was proved to be effective, and it can be generalized to arbitrary crystal symmetries.
基金Project(51072165)supported by the National Natural Science Foundation of ChinaProject(KP201307)supported by the Fund of the State Key Laboratory of Solidification Processing in NWPU
文摘BN interphase was successfully synthesized on SiC fiber fabrics by dip-coating process using boric acid and urea as precursors under N2 atmosphere. The morphology of BN interphase was observed by SEM, and the structure was characterized by XRD and FT-IR spectra. The SiCf/SiC composites with dip-coated BN interphase were fabricated by chemical vapor infiltration (CVI) process, and the effects ofBN interphase on the mechanical properties of composites were investigated. The results show that the SiC fibers are fully covered by BN interphase with smooth surface and turbostratic structure (t-BN), and the thickness is about 0.4 μm. The flexural strengths of SiCf/SiC composites with and without BN interphase are about 180 and 95 MPa, respectively. Compared with the as-received SiCf/SiC composites, the composites with BN interphase exhibit an obvious toughened fracture behavior. From the microstructural analysis, it can be confirmed that the BN interphase plays a key part in protecting the fibers from chemical attack during matrix infiltration and weakening interfacial bonding, which can improve the mechanical properties of SiCf/SiC composites remarkably.
文摘An optical technique for 3 D shape measurement is presented. This technique, based on a deformed projected grating pattern which carries 3 D information of the measured object, can automatically and accurately obtain the phase map of a measured object by using one step phase shift algorithm.In comparison with traditional phase shift technique, the technique is much faster, with the equivalent accuracy. Only one frame image is sufficient for measuring. Experimental result of typical object is presented.
文摘Three kinds of ultra-fine Ce2O(CO3)2·H2O powders with different morphologies were prepared by adding CTAB, PEG19000 and OP-10 to a solution of Ce2O(NO3)3·6H2O and urea according to the principle and the characteristics of the homogeneous precipitation method. The products were characterized by TEM and XRD. The results showed that the precursor was a single crystal, and that different surfactants had different influences on the morphology of the products. The cationic surfactant CTAB had little effect on crystal morphology merely reducing its size. Nonionic surfactants PEG19000 and OP-10 are both able to change the crystal morphology to a much greater extent. Adding PEG19000 produces an array of rod-like particles with ordered formation and uniform dimension. Meanwhile, in the system of OP-10, a sort of flower-like pattern with a dispersed center can be prepared. The formations of ultra-fine Ce2O(CO3)2·H2O powders with different morphologies occured because of the mechanism of formation and grain growth.
基金Project(10834015) supported by the National Natural Science Foundation of ChinaProject(12SKY01-1) supported by the Doctoral Fund of Shangluo University,ChinaProject(14JK1223) supported by the Scientific Research Program of Shaanxi Provincial Education Department,China
文摘Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics.
文摘In recent years,oil spill accidents occur frequently in the marine area of China.Finding out the spilled oil source is a key step in the relevant investigation.In this paper,a step-by-step fingerprinting identification method was used in a spilled oil accident in the Bohai Sea in 2002.Advanced chemical fingerprinting and data interpretation techniques were used to characterize the chemical composition and determine the possible sources of two spilled oil samples.The original gas chromatography -flame ionization detec-tion (GC-FID) chromatogram of saturated hydrocarbons was compared.The gas chromatography-mass spectrometry (GC/MS) chromatograms of aromatic hydrocarbons terpane and sterane,n-alkane and poly-aromatic hydrocarbons (PAHs) were analyzed.The correlation analysis on diagnostic ratios was performed with Student’s t-test.It is found that the oil fingerprinting of the spilled oil (designated as sz1) from the polluted sand beach was identical with the suspected oil (designated as ky1) from a nearby crude oil refinery factory.They both showed the fingerprinting character of mixed oil.The oil fingerprinting of the spilled oil (designated as ms1) collected from the port was significantly different from oil ky1 and oil sz1 and was with a lubricating oil fingerprint character.The identification result not only gave support for the spilled oil investigation,but also served as an example for studying spilled oil accidents.
基金supported by the Natural Science Foundation of Jiangsu Province of China (No. BK20141407)the Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions。
文摘Based on the bulk free energy density and the degenerate mobility constructed by the quartic double-well potential function,a phase field model is established to simulate the evolution of intragranular microvoids due to surface diffusion in a stress field.The corresponding phase field governing equations are derived.The evolution of elliptical microvoids with different stressesΛ,aspect ratiosβand linewidths hˉis calculated using the mesh adaptation finite element method and the reliability of the procedure is verified.The results show that there exist critical values of the stressΛc,the aspect ratioβc and the linewidth hˉc of intragranular microvoids under equivalent biaxial tensile stress.When Λ≥Λ_(c),β≥β_(c) or h≤h_(c),the elliptical microvoids are instable with an extending crack tip.WhenΛ<Λ_(c),β<β_(c) or hˉ>h_(c),the elliptical microvoids gradually cylindricalize and remain a stable shape.The instability time decreases with increasing the stress or the aspect ratio,while increases with increasing the linewidth.In addition,for the interconnects containing two elliptical voids not far apart,the stress will promote the merging of the voids.
基金supported in part by the International Science and Technology Cooperation Program of China(2007DFA30980)the National High Technology Research and Development Program(2007AA09Z445)the National Natural Science Foundation of China(30870506)
文摘Three kinds of polysaccharides: GFW, GFH and GFA, were sequentially extracted from a red alga Gloiopeltisfurcata with 25℃ and 85℃ water, and 60℃ 4% NaOH water solution. Based on the defatted alga, the yields of the polysaccharide were 57.9%, 2.5% and 2.6%, respectively. Their monosaccharide compositions, average molecular weights and structural characters were determined by gas chromatography (GC), high performance liquid chromatography (HPLC), fourier transform infrared spectroscopy (FTIR) or ^13C-NMR spectroscopy. The results showed that GFW, GFH and GFA were all composed of D-galactose (Gal) and 3,6-anhydro-L-galactose (AnG), and particularly GFA also contained xylose (Xyl). The average molecular weights of GFW, GFH and GFA were 22.6 kD, 26.5 kD and 49.8 kD, respectively, with the respective sulfate content 31.2%, 25.1% and 22.7%. The data of FTIR and ^13C-NMR confirmed the sulfate ester location at C6 ofgalactose. It is concluded that all the three polysaecharides extracted from Gloiopeltisfurcata were sulfated galactans, two being sulfated-agarose, and one being xylose-containing sulfated galactan.
基金Projects(51634010,51676211) supported by the National Natural Science Foundation of ChinaProject(2017SK2253) supported by the Key Research and Development Program of Hunan Province,China
文摘The knowledge of bubble profiles in gas-liquid two-phase flows is crucial for analyzing the kinetic processes such as heat and mass transfer, and this knowledge is contained in field data obtained by surface-resolved computational fluid dynamics (CFD) simulations. To obtain this information, an efficient bubble profile reconstruction method based on an improved agglomerative hierarchical clustering (AHC) algorithm is proposed in this paper. The reconstruction method is featured by the implementations of a binary space division preprocessing, which aims to reduce the computational complexity, an adaptive linkage criterion, which guarantees the applicability of the AHC algorithm when dealing with datasets involving either non-uniform or distorted grids, and a stepwise execution strategy, which enables the separation of attached bubbles. To illustrate and verify this method, it was applied to dealing with 3 datasets, 2 of them with pre-specified spherical bubbles and the other obtained by a surface-resolved CFD simulation. Application results indicate that the proposed method is effective even when the data include some non-uniform and distortion.
文摘A new method of 360° turning 3D shape measurement in which light sectioning and phase shifting techniques are both used is presented in this paper.A sine light field is applied in the projected light stripe,meanwhile phase shifting technique is used to calculate phase of the light slit.Thereafter wrapped phase distribution of the slit is formed and the unwrapping process will be made by means of the height information based on the light sectioning method.Therefore phase measuring results with better precision can be obtained.At last the target 3D shape data can be produced according to geometric relationships between phases and the object heights.The principles of this method are discussed in detail and experimental results are shown in this paper.
基金Project(20070533118) supported by the Doctoral Discipline Foundation of Ministry of Education of ChinaProjects(50471058, 50271085) supported by the National Natural Science Foundation of ChinaProject supported by the Postdoctoral Foundation of Central South University, China
文摘Lattice constants, total energies and densities of states of transition metals Fe, Ru and Os with BCC, FCC and HCP structures were calculated by the GGA+PBE functional and the ultrasoft pseudo-potential plane wave method, and compared with those of the first-principles projector augmented wave (PAW) method, CALPHAD method and experimental data. The results show that the lattice stability of this work is △GBCC-HCP>△GFCC-HCP>0, agreeing well with those of PAW method in the first-principles and CALPHAD method except for BCC-Fe. And the densities of state of HCP-Ru and Os have an obvious character of stable phase, agreeing completely with the results of the total energy calculations. Further analyses of atomic population show that the transition rate of electrons from s to p state for HCP, FCC and BCC crystals increases from Fe to Os, and a stronger cohesion, a higher cohesive energy or a more stable lattice between atoms of heavier metals are formed.
基金supported by National Research Program (No. 2003CB415005)"Youth Chen-Guang Project" of Wuhan Bureau of Science and Technology (No. 200750731259).
文摘Surface sediments and bivalves were collected from the Changjiang Estuary in December 2003 and November 2004, respectively. Polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) in these samples were measured with high-resolution chromatography (HRGC)/High Resolution Mass Spectrometer (HRMS). The concentrations of total PCDD/Fs and toxic equivalent (TEQ) were 169.83±119.63 and 0.81±0.36 pg/g dry weight (dw) in sediments, and 580.33±240.17 and 7.24±3.65 pg/g dw in bivalves. The homolog compositions of PCDD/Fs were similar among samples, the most abundant congener was octa-chlorinated dibenzo-p-dioxin (OCDD) and then octa-chlorinated dibenzofuran (OCDF) and 1,2,3,4,6,7,8-hepta-chlorinated dibenzo-p-dioxin (HpCDD). The herbicide pentachlorophenol (PCP) and sodium pentachlorophenol (Na-PCP) were proved the main source of PCDD/Fs in this area.
基金supported by the National Natural Science Foundation of China (No.21688102)the National Key Research and Development Program of China (No.2018YFA0208600)
文摘Recently, we proposed the extended phenomenological kinetics (XPK) method, which overcomes the notorious timescale separation difficulty between fast diffusion and slow chemical reactions in conventional kinetic Monte Carlo (KMC) simulations. In the present work, we make a comprehensive comparison, based on the newly developed XPK package, between the XPK method and the conventional KMC method using a model hydrogenation reaction system. Two potential energy surfaces with different lateral interactions have been designed to illustrate the advantages of the XPK method in computational costs, parallel efficiency and the convergence behaviors to steady states. The XPK method is shown to be efficient and accurate, holding the great promise for theoretical modelling in heterogeneous catalysis, in particular, when the role of the lateral interactions among adsorbates is crucial.
基金V. ACKNOWLEDGMENTS This work was support by the National Natural Science Foundation of China (No.20577049, No.20707025, and No.20907054), the Chinese-Slovak Scientific and Technological Cooperation Project (No.4-03), the Excellent Youth Foundation of Anhui Province Scientific Committee (No.06045098), the Hefei Institutes of Physical Science, Chinese Academy of Science are gratefully acknowledged, and the Slovak Research and Development Agency, projects (No.LPP-0143-06 and No.SK- CN-029-07).
文摘Ion mobility spectra for ten alcohols have been studied in an ion mobility spectrometry apparatus equipped with a corona discharge ionization source. Using protonated water cluster ions as the reactant ions and clean air as the drift gas, the alcohols exhibit different product ion characteristic peaks in their ion mobility spectra. The detection limit for these alcohols is at low concentration pmol/L level according to the concentration calibration by exponential dilution method. Based on the measured ion mobilities, several chemical physics parameters of the ion-molecular interaction at atmosphere were obtained, including the ionic collision cross sections, diffusion coefficients, collision rate constants, and the ionic radii under the hard-sphere model approximation.
基金the Open Project of State Key Laboratory of Advanced Special Steel and Shanghai Key Laboratory of Advanced Ferrometallurgy,China(No.SKLASS2019-11)the National Natural Science Foundation of China(No.52104305).
文摘The phase diagram of ZrO_(2)−CaO−TiO_(2)system was essential for the development of photocatalytic materials and refractory materials.In this work,the ZrO_(2)−CaO−TiO_(2)system was accessed by using the CALPHAD method.The substitutional solution models were used to describe liquid and solid solution phases,the sub-lattice models were used to describe ternary compounds,and then the thermodynamic parameters were obtained by the least square method combined with literature experiment results.The acquired thermodynamic parameters were used to calculate the isothermal sections of the ZrO_(2)−CaO−TiO_(2)system at 1473 and 1673 K.There existed a good agreement between experimental and predicted phase relationships,the experimental points which were inconsistent with calculated results may be attributed to experimental errors and the sluggish kinetics of cations for ZrO_(2)-based materials.In order to further verify the validity of the database,the thermodynamic parameters were also used to simulate the thermodynamic properties(specific heat capacity,enthalpy,and entropy)of CaZrTi_(2)O_(7) within 5%errors.Good consistency demonstrated that the present thermodynamic database was self-consistent and credible.
文摘The acrylamide level of some commercial bread assortments have been evaluated. The influence of several flour types on the content of acrylamide in 14 samples of bread, purchased from 5 different suppliers from the market in Bucharest, Romania was studied. For all bread assortments which have been analyzed for acrylamide, the International Commission of Illumination (CIELab) parameters, L*, a* and b* have been also measured in an attempt to correlate the colour of the final product with its acrylamide content. Determination of acrylamide in bread samples was performed by Gas Chromatography coupled with tandem Mass Spectrometry (GC-MS/MS), using isotope dillution calibration after derivatization (bromination). The results revealed that the acrylamide level vary between bread assortments of different brands and bread assortments of same brand, but different lots. In the case of commercial bread samples, the use of whole wheat flours lead to formation of higher quantity in acrylamide (165.53 μg/kg), compared to the use of white wheat flours (28.02μg/kg).
基金Sponsored by the National Natural Science Foundation of China(Grant No.10272036)
文摘In order to determine the dynamic stress intensity factors(DSIFs)for a single edge crack at the center hole of a finite plate under a compressive step loading parallel to the crack,the finite element method was employed to solve the cracked plate problem.The square-root stress singularity around the crack tip was simulated by quarter point singular elements collapsed by 8-node two-dimensional isoparametric elements.The DSIFs with and without considering crack face contact situations were evaluated by using the displacement correlation technique,and the influence of contact interaction between crack surfaces on DSIFs was investigated.The numerical results show that if the contact interaction between crack surfaces is ignored,the negative mode I DSIFs may be obtained and a physically impossible interpenetration or overlap of the crack surfaces will occur.Thus the crack face contact has a significant influence on the mode I DSIFs.