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矿物性质对沥青黏附性影响的分子模拟研究
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作者 黄婷 唐德金 +2 位作者 高广路 王雯佳 王浩安 《城市道桥与防洪》 2023年第9期261-267,M0021,共8页
现有基于分子模拟的沥青-集料黏附性研究通常忽略了矿物表面性质对沥青-集料黏附性的影响。针对这一问题,基于两种不同的表面悬键补偿方式构建了具有不同表面性质的SiO_(2)及Al_(2)O_(3)矿物模型,从矿物表面电荷和矿物表面基团两个角度... 现有基于分子模拟的沥青-集料黏附性研究通常忽略了矿物表面性质对沥青-集料黏附性的影响。针对这一问题,基于两种不同的表面悬键补偿方式构建了具有不同表面性质的SiO_(2)及Al_(2)O_(3)矿物模型,从矿物表面电荷和矿物表面基团两个角度探究矿物表面性质对沥青-集料黏附性的影响。分子模拟结果表明,矿物表面原子及其电荷决定了沥青与矿物间的静电相互作用,同时影响沥青分子的分布及空间构型。此外,矿物表面羟基化对沥青-矿物模型的总结合能影响较小,但能够显著提高沥青与矿物模型间的范德华相互作用,同时显著降低二者间的静电相互作用。 展开更多
关键词 沥青-集料黏附 矿物表面电荷 矿物表面基团 分子模拟
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Proton Dissociation from Surfaces of Variable Charge Soil andMnierals
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作者 LUYA-HAI HUANGCHANG-YONG 《Pedosphere》 SCIE CAS CSCD 1994年第2期173-180,共8页
Experiments on proton dissociation from the surfaces of goethite, amorphous Al oxide, kaolinite and latosolwere carried out, showing amphoteric behavior with reactions of proton dissociation-association on the surface... Experiments on proton dissociation from the surfaces of goethite, amorphous Al oxide, kaolinite and latosolwere carried out, showing amphoteric behavior with reactions of proton dissociation-association on the surfaces andbuffering capacity in such a sequence as amorphous Al oxide > latosol > kaolinite > goethite. Dissociation con-stants of surface proton, pK_(sa) are significantly correlated with surface charge density, which has been proved with anelectrochemical model. Tbe intrinsic constants of proton dissociation, K_(sa)(int), gained by extrapolation to zero charconditions of plots of pK_(sa) against σ_o, could be used to estimate the acidity strength of variable charge surfaces. Thevalue of pK_(sa)(int) is 8.08 for goethite, 1 .2 for amorphous Al oxide, 6.62 for kaolinite and 5 .32 for latosol. 展开更多
关键词 surface acidity proton dissociation variable charge surfaces
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