The localized molecular orbital (LMO) theory is used to study the reaction mechanism of the isomerization reaction: H3PO→H2POH. The energy transition state (TS) of the reaction is also obtained by Powell’s mehtod us...The localized molecular orbital (LMO) theory is used to study the reaction mechanism of the isomerization reaction: H3PO→H2POH. The energy transition state (TS) of the reaction is also obtained by Powell’s mehtod using 6-31G basis set. The resluts show that the lone pair electrons of oxygen atom play an forortant role in this reaction.展开更多
SiC窑具材料浸渍Ca3(PO4)2与AlPO4混合饱和溶液,能填充气孔,降低气孔率,阻碍O2的扩散,能增加SiC窑具抗氧化性,延长其使用寿命.浸渍次数越多,氧化速度越小.浸渍1～4次的氧化速度常数比值为:Ki混:K2混:K3混:K4混=1.44×10-7:1.16 x 10...SiC窑具材料浸渍Ca3(PO4)2与AlPO4混合饱和溶液,能填充气孔,降低气孔率,阻碍O2的扩散,能增加SiC窑具抗氧化性,延长其使用寿命.浸渍次数越多,氧化速度越小.浸渍1～4次的氧化速度常数比值为:Ki混:K2混:K3混:K4混=1.44×10-7:1.16 x 10-7:1.02×10 7:0.87×107=1.66:1.33:1.1 7:1,浸渍混合饱和溶液的抗氧化能力比浸渍Ca3(PO4)2饱和溶液强.展开更多
The effects of H3PO4 and Ca（H2PO4）2 on compressive strength, water resistance, hydration process of thermally decomposed magnesium oxychloride cement （TDMOC） pastes were studied. The mineral composition, hydration...The effects of H3PO4 and Ca（H2PO4）2 on compressive strength, water resistance, hydration process of thermally decomposed magnesium oxychloride cement （TDMOC） pastes were studied. The mineral composition, hydration products and hydration heat release were analyzed by XRD, FT-IR, SEM and TAM air isothermal calorimeter, etc. After being modified by H3PO4 and Ca（HzPO4）2, the properties of the TDMOC are improved obviously. The compressive strength increases from 14.8 MPa to 48.1 MPa and 37.1 MPa, respectively. The strength retention coefficient （Kn） increases from 0.38 to 0.99 and 0.94, respectively. The 24 h hydration heat release decreases by 10% and 4% and the time of hydration peak appearing is delayed from 1 h to about 10 h. The XRD, FT-IR and SEM results show that the main composition is 5Mg（OH）z＇MgCIz＇8H20 in the modified TDMOC pastes. The possible mechanism for the strength enhancement was discussed. The purposes are to extend the potential applications of the salt lake magnesium resources and to improve the mechanical properties of TDMOC.展开更多
文摘The localized molecular orbital (LMO) theory is used to study the reaction mechanism of the isomerization reaction: H3PO→H2POH. The energy transition state (TS) of the reaction is also obtained by Powell’s mehtod using 6-31G basis set. The resluts show that the lone pair electrons of oxygen atom play an forortant role in this reaction.
基金supported by the National Natural Science Foundation of China (21073120, 20773087, 21006063)Science and Technology Commission of Shanghai Municipality, China (09DZ1203603, 10DZ1202702)~~
基金supported by the Natural Science Youth Foundation of Jiangsu Province,China(BK20130198)Fundamental Research Funds for the Central Universities,China(2013XK07)~~
文摘SiC窑具材料浸渍Ca3(PO4)2与AlPO4混合饱和溶液,能填充气孔,降低气孔率,阻碍O2的扩散,能增加SiC窑具抗氧化性,延长其使用寿命.浸渍次数越多,氧化速度越小.浸渍1～4次的氧化速度常数比值为:Ki混:K2混:K3混:K4混=1.44×10-7:1.16 x 10-7:1.02×10 7:0.87×107=1.66:1.33:1.1 7:1,浸渍混合饱和溶液的抗氧化能力比浸渍Ca3(PO4)2饱和溶液强.
基金Project(B0210)supported by One Hundred Talent Project of Chinese Academy of SciencesProject(2008-G-158)supported by Science and Technology Tackling Key Program of Qinghai Province,China
文摘The effects of H3PO4 and Ca（H2PO4）2 on compressive strength, water resistance, hydration process of thermally decomposed magnesium oxychloride cement （TDMOC） pastes were studied. The mineral composition, hydration products and hydration heat release were analyzed by XRD, FT-IR, SEM and TAM air isothermal calorimeter, etc. After being modified by H3PO4 and Ca（HzPO4）2, the properties of the TDMOC are improved obviously. The compressive strength increases from 14.8 MPa to 48.1 MPa and 37.1 MPa, respectively. The strength retention coefficient （Kn） increases from 0.38 to 0.99 and 0.94, respectively. The 24 h hydration heat release decreases by 10% and 4% and the time of hydration peak appearing is delayed from 1 h to about 10 h. The XRD, FT-IR and SEM results show that the main composition is 5Mg（OH）z＇MgCIz＇8H20 in the modified TDMOC pastes. The possible mechanism for the strength enhancement was discussed. The purposes are to extend the potential applications of the salt lake magnesium resources and to improve the mechanical properties of TDMOC.
