High and cost-efficient capture of CO_(2) is a prerequisite and an inevitable path of carbon emission reduction. To address the challenges(high cost, low efficiency, less sustainability, etc.) of existing petroleum-ba...High and cost-efficient capture of CO_(2) is a prerequisite and an inevitable path of carbon emission reduction. To address the challenges(high cost, low efficiency, less sustainability, etc.) of existing petroleum-based CO_(2) absorbents, herein, a class of efficient and sustainable lignin-based absorbents were resoundingly prepared by grafting the active amine group on a lignin derived compound vanillin and alkali lignin. The results demonstrated that vanillin modified by acrylamide achieved the excellent absorption capacity among the three absorbents, whose ability was 0.114 g CO_(2) per gram of absorbent under 25 ℃ and 100 kPa. In addition, the absorbent retained stable absorbability of CO_(2) after 6 cycles.The absorbing capacity of the absorbent formed by the coupling of vanillin and acrylamide to CO_(2) was much greater than their own(i.e. 0 g CO_(2) ·g^(-1)vanillin, 0.01 g CO_(2) ·g^(-1) acrylamide, respectively).Detailed information revealed the multi-site synergistic absorption mechanism, in which CO_(2) has C and O double interactions with the amide group of the absorbent, and single interaction with the hydroxyl oxygen on the benzene ring of the absorbent. The absorption capacity of modified lignin for CO_(2) is as high as 0.12 g CO_(2) per gram of absorbent, which is comparable with that of model compound vanillin.This work not only provides a new idea for the design of bio-absorbents for CO_(2) capture, but explores the application potential of lignin-based materials.展开更多
A method based on electronic structure calculation is proposed to predict the substitution behavior of elements in ordered intermetallics. The electronic structure of 20 alloying elements in TiAl is calculated using ...A method based on electronic structure calculation is proposed to predict the substitution behavior of elements in ordered intermetallics. The electronic structure of 20 alloying elements in TiAl is calculated using the DV-Xα cluster method The bond orders between alloying elements and surrounding atoms, Bo_Ti,Bo_Al, are used as parameters. Two lines on the Bo_Ti-Bo_Al diagram separate the elements into three groups. The elements located outside of the two lines substitute either Ti or Al atom regardless of the composition of TiAl. The substitution behavior of elements between the two lines will be affected by the Ti/Al ratio and the amount of alloying elements added Substituting sequence in multi-element alloy is discussed The prediction based on this method agrees well with the experimental results.展开更多
Compound(Ph_4P)[V_3MP_6](MPH_2=o-HOC_6H_4SH)was obtained by reaction of VCl_3 and Na_2MP in ethanol in the presence of Ph_4PBr.It is triclinic and crystallizes in space group P1,fw=1237.3,a=14.127(4), b=14.342(4),c=15...Compound(Ph_4P)[V_3MP_6](MPH_2=o-HOC_6H_4SH)was obtained by reaction of VCl_3 and Na_2MP in ethanol in the presence of Ph_4PBr.It is triclinic and crystallizes in space group P1,fw=1237.3,a=14.127(4), b=14.342(4),c=15.878(4);α=65.08(2),β=73.09(2),T=78.68(2)°;V=2781.3~3, Z=2,d_c=1.48 g/cm^3.Final R factor is 0.063.The three vanadium atoms are linearly arranged and bridged by the oxygen atoms and terminally chelated by the thiolato-atoms of the six MP^2-ligands in pseudo-S_6 symmetry.展开更多
基金supported by National Natural Science Foundation of China (22078023, 22178187)Natural Science Foundation of Shandong Province (ZR202102180830)+1 种基金Taishan Scholars Program of Shandong Province (tsqn201909091)the Startup Foundation of China (3160011181808)。
文摘High and cost-efficient capture of CO_(2) is a prerequisite and an inevitable path of carbon emission reduction. To address the challenges(high cost, low efficiency, less sustainability, etc.) of existing petroleum-based CO_(2) absorbents, herein, a class of efficient and sustainable lignin-based absorbents were resoundingly prepared by grafting the active amine group on a lignin derived compound vanillin and alkali lignin. The results demonstrated that vanillin modified by acrylamide achieved the excellent absorption capacity among the three absorbents, whose ability was 0.114 g CO_(2) per gram of absorbent under 25 ℃ and 100 kPa. In addition, the absorbent retained stable absorbability of CO_(2) after 6 cycles.The absorbing capacity of the absorbent formed by the coupling of vanillin and acrylamide to CO_(2) was much greater than their own(i.e. 0 g CO_(2) ·g^(-1)vanillin, 0.01 g CO_(2) ·g^(-1) acrylamide, respectively).Detailed information revealed the multi-site synergistic absorption mechanism, in which CO_(2) has C and O double interactions with the amide group of the absorbent, and single interaction with the hydroxyl oxygen on the benzene ring of the absorbent. The absorption capacity of modified lignin for CO_(2) is as high as 0.12 g CO_(2) per gram of absorbent, which is comparable with that of model compound vanillin.This work not only provides a new idea for the design of bio-absorbents for CO_(2) capture, but explores the application potential of lignin-based materials.
文摘A method based on electronic structure calculation is proposed to predict the substitution behavior of elements in ordered intermetallics. The electronic structure of 20 alloying elements in TiAl is calculated using the DV-Xα cluster method The bond orders between alloying elements and surrounding atoms, Bo_Ti,Bo_Al, are used as parameters. Two lines on the Bo_Ti-Bo_Al diagram separate the elements into three groups. The elements located outside of the two lines substitute either Ti or Al atom regardless of the composition of TiAl. The substitution behavior of elements between the two lines will be affected by the Ti/Al ratio and the amount of alloying elements added Substituting sequence in multi-element alloy is discussed The prediction based on this method agrees well with the experimental results.
文摘Compound(Ph_4P)[V_3MP_6](MPH_2=o-HOC_6H_4SH)was obtained by reaction of VCl_3 and Na_2MP in ethanol in the presence of Ph_4PBr.It is triclinic and crystallizes in space group P1,fw=1237.3,a=14.127(4), b=14.342(4),c=15.878(4);α=65.08(2),β=73.09(2),T=78.68(2)°;V=2781.3~3, Z=2,d_c=1.48 g/cm^3.Final R factor is 0.063.The three vanadium atoms are linearly arranged and bridged by the oxygen atoms and terminally chelated by the thiolato-atoms of the six MP^2-ligands in pseudo-S_6 symmetry.
