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1.A method to calculate quantitatively the adsorption volume or adsorption space of per mass of adsorbent derived from both the adsorbed molecule volume and the maximum adsorbance of a solute in an adsorption isotherm under a given experimential condition is presented firstly for a solid/liquid adsorption system of the solute in a dilute aqueous solution.This method is suitable for not only mono-layer adsorption,but also mani-layer adsorption and micelle adsorpion of surfactant constructed by hydrophile and lipophile groups.Therefore,the surface concentration of the adsorbate,CS, deduced from the adsorption volume is possessed of the meaning of true concentration,and the value of the patition coefficient of the adsorbate between solid and liquid phass,Pα, attained by the CS and the C,solution concentration of the adsorbate,can be accurate.The foregoing a set of calculations are presented for the solid-liquid adsorption systems consisted of the wool fiber and separately dodecyltrimethyl-ammonium bromide (DTAB) and hexadecyltrimethyl-ammonium bromide (CTAB) in this paper.This provides a strong basis for adsorption thermodynamic investigation of adsorbate.
对稀溶液中溶质的固/液吸附体系,首次提出了根据吸附分子体积和实验条件下吸附等温线中的最大吸附量计算单位质量吸附剂的吸附体积或吸附空间的方法.此法适用于单层吸附,也适用于多层吸附和具有亲水亲油结构的表面活性剂分子的胶团吸附.由此,吸附质的表面相浓度CS具有真实浓度的含义,相应地,计算得到的溶质的固/液分配系数Pα就有了准确值.分别计算由溴代十二烷基三甲铵(DTAB)和溴代十六烷基三甲铵(CTAB)与羊毛纤维构成的液/固体系分配系数等,为溶质吸附的热力学研究奠定了基础.收藏指正
2.Adsorption Reaction Space in Activated Carbon Desulfurization on the Condition of Desorbing by Water
水涤脱附条件下活性炭脱硫中吸附反应空间的研究收藏指正
3.DMol 3 module based on density functional theory (DFT) has been used for Ni (211) slab model to simulate monatomic step structure. Results of adsorption energy and space configurations of CH_ x (x0~4) on different active sites of the surface are discussed. LST/QST method has been carried out on searching for reaction pathways, transition states and corresponding reaction data of all dissociation steps of CH_ x (x1~4).
使用基于密度泛函理论(DFT)的DMol3量子力学计算程序模块,采用Ni(211)周期性模型表达镍表面上的单原子台阶结构,计算出CHx(x=0~4)在Ni(211)模型不同活性位上的吸附能和空间构型,并使用LST/QST方法找到了台阶结构上CHx(x=1~4)的解离路径、过渡态和相应的能量数据.收藏指正
4.Perfect Gas Pressure of 2-phase Space and Physical Adsorption
二维理想气体的压强和物理吸附收藏指正
5.According to the datas dynamic adsorption model and the technical requirement, the flow path of removing carbon dioxide from pyrolysis gas produced from methonal by PSA was designed to calculate the size of adsorber and admission space of adsorbents and to determine the reasonable operation chart. The results from factory showed that the purity of product was above 99.99% and the rate of recovery was above 92%. The economic effectiveness was remarkable.
工厂装置运行结果表明,采用该流程进行二氧化碳的脱除和氢气的提纯,氢气的纯度大于99.99%,回收率大于92%,与国内同类装置相比,氢气回收率提高10个百分点以上,具有显著的经济效益。收藏指正
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