Unusual Behavior of Nanocrystalline Strontium Oxide Toward Hydrogen Sulfide

The thermodynamically favored reaction of solid strontium oxide with gaseous hydrogen sulfide is kinetically enhanced to a large degree by the use of higher surface area nanocrystalline SrO in the form of brush-like collections of metal oxide fibers. An unusual feature is that the reaction SrO + H₂S SrS + H₂O proceeds stoichiometrically at room temperature, but at higher temperatures the reaction efficiency goes down, apparently due to rapid temperature induced crystal growth of the nanocrystalline SrO. The samples studied vary in crystallite size from 20 to 27nm, while average particle size (nanocrystal aggregates) varies in the following order; aerogel prepared SrO (100nm) 相似文献   

Heterogeneous Chemiluminescence of Crystal Phosphors on X‐Ray or UV Irradiation

Using a highvacuum assembly with molecular beams and setups with an implemented atom probe, we investigated atomic and molecular adsorption luminescence of the oxides CaOBi and MgO in O and O₂ beams and also radicalrecombination luminescence excited by H and O atoms in ZnS and in ZnS,CdS samples activated with silver, copper, and the rareearth element Tm. It is established that exposure to UV light and xray radiation of the CaOBi, MgO, and ZnSTm samples, where the mechanism of direct excitation of heterogeneous chemiluminescence (HCL) is realized, does not influence the characteristics of the heterogeneous chemiluminescence, whereas similar exposure of the ZnS,CdSCu,Al and ZnS,CdSAg samples and of selfactivated ZnS, in which the excitation of heterogeneous chemiluminescence is due to the ionization of the lattice, leads to an increase in the intensity of heterogeneous chemiluminescence up to five orders of magnitude. The mechanisms of the phenomenon are considered.     

Production and Application of the Langmuir Aggregates of Eosine with Cetyl Trimethyl Ammonium Bromide

The procedure of microphase adsorption–spectral correction is applied to the interaction of eosine Y (EO) to the micelles of cetyl trimethyl ammonium bromide (CTAB). The Langmuir aggregation of EO on CTAB occurs owing to microelectrostatic attraction. The results have shown that at pH 3.8, monomeric and micellar aggregates have the structure EO₅·CTAB₂ and (EO₅·CTAB₂)₃₉. The adsorption constant of an aggregate is 7.01·10⁵, its molar absorption coefficient is = 8.8·10⁴ liters·mole^–1·cm^–1 at 550 nm. Application of the aggregation of EO on CTAB gives satisfactory results for quantitative determination of cation surfaceactive agents (surfactants).     

The Possible Coupling of LNG Regasification Process with the TSA Method of Oxygen Separation from Atmospheric Air

Liquefied Natural Gas (LNG) must be vaporized before it is used in the combustion process. In most regasification terminals, energy that was previously expended to liquefy natural gas is dissipated in the environment. The paper proposes the use of the thermal effect of LNG regasification for the atmospheric air separation as a possible solution to the LNG exergy recovery problem. The presented idea is based on the coupling of the LNG regasification unit with an oxygen generator based on the Temperature Swing Adsorption (TSA) process. Theoretical analysis has revealed that it is thermodynamically justified to use the LNG enthalpy of vaporization for cooling of the TSA adsorption bed for increasing its adsorptive capacity. It has been shown that 1 kg of LNG carries enough exergy for separating up to approximately 100 g of oxygen using the TSA method. Although the paper suggests using the enthalpy of LNG vaporization for atmospheric air separation, similar processes for other gas mixture separations using the TSA method can be applied.     

Hydrogen adsorption on Pt-decorated closed-end armchair (3,3), (4,4) and (5,5) single-walled carbon nanotubes

ABSTRACT

Structures of small lengths of capped (3,3), (4,4) and (5,5) single-walled carbon nanotubes (SWCNTs) and their structures decorated by Pt atom and Pt_n clusters (n = 2–4) were obtained using density functional theory calculations. Binding abilities of Pt atom and Pt_n clusters on the outer surface of SWCNTs at various adsorption sites were explored. Adsorptions of H₂ onto Pt atom of the Pt-decorated (3,3), (4,4) and (5,5) SWCNTs were studied and their adsorption energies are reported. The thermodynamic properties and equilibrium constants for H₂ adsorptions on the Pt₄-decorated (3,3), (4,4) and (5,5) SWCNTs were obtained. The adsorption of H₂ on the Pt atom of the Pt₄/(3,3) SWCNT was found to be the most preferred reaction of which enthalpy and free energy changes at room temperature are ?46.61 and ?23.99 kcal/mol, respectively.     

Ion Exchange Separation of Eu3+ from Different Salt Solutions

Two samples of potassium zinc hexacyanoferrate were prepared using two different ratios of the initial materials. The distribution coefficient of Eu³⁺ on the two samples was determined. The effect of the cation concentration in the aqueous phase on the adsorption of Eu³⁺ was also studied. The mechanism of the exchange process was described on the light of the data obtained, and the equilibrium constant of the exchange reaction was also calculated.     

Calculation on the CO2 influences on the structure,stability of (MgO)m (m = 1–6) clusters

ABSTRACT

The concentration of carbon dioxide (CO₂) has a significant influence on the morphology of thermal decomposition products of magnesite. So, structures, stabilities and adsorption mechanisms of (MgO)_m (m?=?1–6) clusters by one or two CO₂ molecules were calculated by the GGA-PW91 method. The results show that the stability of the considered clusters is (MgO)_m(CO₂)₂ clusters > (MgO)_m(CO₂) clusters > (MgO)_m clusters by the average binding energy. Certain low-lying isomers of (MgO)_m(CO₂) and (MgO)_m(CO₂)₂ clusters which have an isolated O atom are deviating from the cluster center which possess higher kinetic activity. (MgO)_m clusters prefer to adsorb a CO₂ molecule, while (MgO)₃(CO₂) clusters prefer to adsorb a CO₂ molecule rather than the neighbors. Magnesite is difficult to transit to (MgCO₃)₂ clusters at room temperature. However, magnesite will spontaneously transit to (MgO)₂ clusters and further transit to MgO crystal which need to adsorb more energy at 700?K.     

水分子在氢化锂表面的吸附行为

运用理论分析方法计算研究了水分子在氢化锂表面的吸附行为,分析了氢化锂表面改性对其疏水性能的影响。结果表明,在LiH-111面和LiH-100面上构建槽结构、柱状结构后,水分子在其上的吸附力比完整表面更强,说明表面微结构的引入的确改变了势能分布。壁相交处存在势能叠加,加强了吸附水分子的能力,但是没有引起表面的亲水性能变化。水分子可以稳定的吸附在完美的LiH（001）表面,其解离能垒仅为0.386 eV,这一解离反应在室温下完全可以进行。水分子极易在具有结构缺陷的LiH表面解离,这是LiH在一定湿度的空气和水环境中极易分解的根本原因。     

An investigation of paddle wheel Cu2(μ2-O2CCH3)4 for gas molecule adsorptions

Metal organic frameworks (MOFs) have been well-known and extensively researched due to the high storage /good selectivity for gas molecules. Herein, the structures and electron paramagnetic resonance (EPR) spectra for dicopper paddle wheel MOF compound (Cu₂(µ₂-O₂CCH₃)₄ with various gas molecule are theoretically investigated by density functional theory (DFT) calculations. The adsorption energies and isotherms (including pure gas molecules and the mixed ones) are calculated for the gas molecules interacting with the unsaturated Cu₂(µ₂-O₂CCH₃)₄. Both quantities exhibit the roughly consistent orders (e.g. H₂S?>?NH₃?>?CO₂?>?CO?>?H₂O?>?N₂?>?NO?>?H₂ for isotherms and H₂S?>?NH₃?>?N₂?>?CO₂?>?NO?>?H₂O?>?H₂?>?CO for adsorption energies), possibly suggesting that this material may act as a potential adsorbent of these gas molecules. The catalytic property of Cu₂(µ₂-O₂CCH₃)₄ for oxidation of CO and NO into non-toxic molecules and splitting of H₂O into H₂ and O₂ in the solvent condition are uniformly discussed. Simulation of Grand Canonical Monte Carlo (GCMC) in MS 8.0 and calculations in Langmuir model reveal that Cu₂(µ₂-O₂CCH₃)₄ has good selectivity for CH₄ in natural gas (CH₄/CO₂/N₂) and SO₂ in fog (SO₂/NO/NO₂/H₂O/O₂), which would exhibit potential environmentally friendly applications.     

合成氨催化剂研究的新进展

 近20多年来,随着英国BP公司钌基催化剂的发明和我国亚铁基熔铁催化剂体系的创立,标志着合成氨催化剂进入了一个新的发展时期,由唯一的传统Fe3O4路线发展为三条技术路线,并各自取得了重大进展．本文扼要介绍了Fe3O4基传统催化剂和钌基催化剂的主要研究成果和发展趋势,着重综述了我国独创的Fe1－xO基熔铁催化剂的发现及其高活性机理探讨方面的研究成果．回顾了20世纪合成氨工业及其催化剂从创立、发展,到取得辉煌成就的历程,展望了21世纪的发展趋势．