A NEW MODIFIED LINEAR DRIVING FORCE(MLDF)MODEL

IINTRODUCTIONAdiffusionphenomenonexistSinavarietyofadsorptionprocesses,andplaysanimportalroleintheadsorptionrate.ThediffusionofadsorbateinporousmediumisanunsteadymasstTansferprocess,whichcanbedescribedbypartialdifferentialequation.Howevef,theanalysissolutionofthediffusionrateequationisaninfiniteseries,soithasnotbeenwidelyusedintheadsorptionprocesses.Inordertosimplifytheadsorptionratemodel,alotofapproximationshavebeenputforward,ofwhichthelineardrivingforce(LDF)modelproposedbyGlueckauf(1…     

A NEW MODEL OF FROST HEAVE PREDICTION FOR CLAYEY SOILS

After analysing the results of systematic experimental research on frost susceptibility tests, a new frost heave prediction model, including the heave ratio η and rate R, is first proposed in this paper. Six main factors influencing frost heave are considered: initial water content W, initial dry unit weight γd, frost penetration rate Vf, groundwater level Hw, plasticity index Ip and ion content S. The model could be expressed by: η= B0WB1γBd2VB31·exp(B4Hw)exp(B5Ip)exp(B6S) and R = B'0WB'1γB'2dexp(B'3Hw)exp(B'4Ip)exp(B'5S) with a good reliability, where B0 to B6 and B'0 to B'5 are the characteristic constants of clayey soils. The effect of each factor on frost susceptibility of soils is discussed also.     

HYBRID ZINC（Ⅱ） AND IRON（Ⅲ）PORPHYRIN DIMER：A NEW MODEL SYSTEM OF CYTOCHROME P450 TO HYDROXYLATE CYCLOHEXANE

ＨＹＢＲＩＤＺＩＮＣ（Ⅱ）ＡＮＤＩＲＯＮ（Ⅲ）ＰＯＲＰＨＹＲＩＮＤＩＭＥＲ：ＡＮＥＷＭＯＤＥＬＳＹＳＴＥＭＯＦＣＹＴＯＣＨＲＯＭＥＰ４５０ＴＯＨＹＤＲＯＸＹＬＡＴＥＣＹＣＬＯＨＥＸＡＮＥＺｈａｎＬｉａｎｇＬＩＵ，ＪｉｎＷａｎｇＨＵＡＮＯ，ＣａｉＬｉｎ...     

A NEW SOLVENT POLYMERIC MEMBRANE pH SENSOR WITH WIDE LINEAR pH RANGE

A new solvent polymeric membrane (SPM)pH2sensor based on 4,4'-bis (N, N-didecylamino)methyl)azobenzene as neutral carricr has been reported. It has excellent pH response characteristics with the linear response range (1.7—13.2)much wider than that of similar SPM pH sensors reported so far. The sensor has a theoretical Nernstian response of 57.4+0.2V/pH(at 20℃)without super—Nernstian response phenomenon.     

Oxygen Atom Adsorption and Diffusion on Pd Low-index Surfaces and （311） Stepped Surface

Introduction Atom adsorption on transition metal surfaces has attracted special attention as a base for understanding the fundamental processes of oxidative catalysis. Particularly interesting is the adsorption and diffusion of oxygen on well-defined metal surfaces. An oxygen covered palladium surface, for example, plays a central role in several important reactions such as oxidation of carbon monoxide and ammonia. In particular, the (100), (111), (110) surfaces and the interactions with oxyge…     

FTIR STUDIES ON THE MODEL POLYURETHANE HARD SEGMENTS BASED ON A NEW WATERBORNE CHAIN EXTENDER DIMETHYLOL BUTANOIC ACID （DMBA）

Three model polyurethane hard segments based on dimethylol butanoic acid (DMBA) and 1,6-hexane diisocyanate (HDI), toluene diisocyanate (TDI) and 4,4‘-diphenylmethane diisocyanate (MDI) were prepared by the solution method.Fourier Infrared (FTIR) spectroscopy was employed to study the H-bonds in these model polyurethanes. The model polyurethane hard segment prepared from HDI and 1,4-butanodiol (BDO) was used for comparison. It was found that the incorporation of the pendent carboxyl through DMBA into the model hard segments weakens the original NH…O=C H-bond but gives more H-bond patterns based on the two H-bond donors, urethane NH and carboxylic OH. The carboxylic dimer is one of the main H-bond types and is stronger than another main H-bond type NH…O=C. In addition, the H-bond in aromatic model hard segments is stronger than that of aliphatic hard segments. The appearance of the free C:O and the fact that almost all N-H is H-bonded suggest that there possibly exist either the third H-bond acceptor or the H-bond formed by one acceptor with two donors.     

A NEW MODEL FOR ESTIMATING CROP WATER DEFICIENCY BASED ON INFRARED INFORMATION

Based on infrared information under the condition that crop canopy surface is not always in satura-tion, this paper presents a model for estimating the crop waer deficiency. The physical concept of themodel is clear and definite, and it is convenient to calculate the crop water stress index (F). The roleof environmental factors such as the net radiation, the windspeed, etc. played on the model and thephysical meaning of the model are expounded in this paper. The model links up Jackson's heat balancemethod and Idso's graphic solution method. The model was tested and verified by the data acquired fromYucheng experimental station in Shangdong Province. Throughout the wheat growing season the totalcorrelation coefficient between daily crop water stress index (F) and dai1y soil water content is -0.85.During each growing stage, the correlation coefficients between average crop water stress index (F) inthe stages and average soil water content in the stages are, respectively, -0.91 for jointing stage, -0.99for     

铜（II）—腺嘌呤的配位吸附波

本文对铜（Ⅱ）－腺嘌呤配位吸附波的极谱行为进行了研究。结果表明，当腺嘌呤浓度大于铜的浓度时，极谱波呈现为两电子还原配位吸附不可逆波。测定了配合物的组成及条件生成常数，对电极反应机制也进行了探讨。     

NEW LABELLING SCHEME OF ROTATION-VIBRATION STATES IN A LINEAR POLYATOMIC MOLECULE-LIE ALGEBRAIC POINT OF VIEW

THE results of a study on Clebsh-Gordan coefficients of polarharmonics have been reported.A labelling scheme has beenproposed.Under the new scheme,some rotation-vibration stateof a molecule will be labelled with half-integers.This doesnot mean they have double values.By using the concept ofspace-time symmetry and the dynamical symmetry of a doublydegenerate vibration-SU(2),the rotation and vibration inmolecular spectroscopy can be treated as one thing.Bothare realization of Lie group,and can be greatly simplifiedby use of Racah-Wigner algebra,as is done in atomic,nu-clear and molecular electronic spectroscopies.     

Theoretical Studies on Adsorption and Diffusion of Hydrogen Atom on Pd（311） and Ni（311） Stepped Surface

The adsorption and diffusion of hydrogen atom on open rough Pd(311) and Ni(311) stepped surface were investigated in detail using 5-parameter Morse Potential (5-MP for short) method. The results on theoretical studies indicate that only threefold adsorption states exist at low coverage, and fourfold states are annihilated on the top layer which become the diffusion channels between threefold adsorption states due to strong competition and repulsion between hydrogen adatoms.     

A DFT Study for NH3 Adsorption on the GaN （0001） Surface

1 INTRODUCTION Recently, the reaction of NH3 with III-V com- pounds[1～5] has attracted much attention, especially for the wurtzite GaN, since NH3 is the predominant raw stuff for growing crystalline GaN by both of the most important growth techniques[6～9], i.e., organo- metallic chemical vapor deposition (OMCVD) and molecular-beam epitaxy (MBE). Experimentally, Shekhar et al.[2] reported the chemisorption and reaction of hydrogen and ammonia on the single- crystalline GaN (0001…     

ASSESSMENT OF CRITICAL AGGREGATE CONCENTRATION （CAgC） BY UV． A NEW METHOEOLOGY

ＡＳＳＥＳＳＭＥＮＴ　ＯＦ　ＣＲＩＴＩＣＡＬ　ＡＧＧＲＥＧＡＴＥ　ＣＯＮＣＥＮＴＲＡＴＩＯＮ　（ＣＡｇＣ）　ＢＹ　ＵＶ．　Ａ　ＮＥＷ　ＭＥＴＨＯＥＯＬＯＧＹＡＳＳＥＳＳＭＥＮＴＯＦＣＲＩＴＩＣＡＬＡＧＧＲＥＧＡＴＥＣＯＮＣＥＮＴＲＡＴＩＯＮ（ＣＡｇＣ...     

A NEW METHOD FOR PREPARATION OF IRON（Ⅲ） PORPHYRIN OXYANION COMPLEXES－SYNTHESIS OF PERCHLORATE（PORPHYINATO） IRON（Ⅲ）

ＡＮＥＷＭＥＴＨＯＤＦＯＲＰＢＥＰＡＲＡＴＩＯＮＯＦＩＢＯＮ（Ⅲ）ＰＯＲＰＨＹＲＩＮＯＸＹＡＮＩＯＮＯＭＰＬＥＸＥＳ－ＳＹＮＴＨＥＳＩＳＯＦＰＥＲＣＨＬＯＲＡＴＥ（ＰＯＲＰＨＹＩＮＡＴＯ）ＩＲＯＮ（Ⅲ）￥ＸｉｎＨｕａＺＨＯＮＧ；ＹａｏＹｕＦＥＮＧ；Ｊ...     

A DFT Study of Thiophene Adsorption on the Rh（111） Surfaces

Thiophene adsorption on the Rh(111) surfaces has been investigated by density functional theory.The results show that the adsorption at the hollow and bridge sites is the most stable.The molecular plane of the thiophene ring is distorted,the C=C bond is stretched to 1.448  and the C-C bond is shortened to 1.390.The C-H bonds tilt 22～42oaway from the surface.The calculated adsorption geometries are in reasonable agreement with population analysis and density of states.The thiophene molecule obtains 0.74 electrons,reflecting the interaction between the lone pair of sulfur and the d-orbitals of metal.The reaction paths and transition states for desulfurization of the molecule have been investigated.The bridge adsorption structure of thiophene leads to a thiol via an activated reaction with an energetic barrier of 0.30 eV.This second step is slightly difficult,and dissociation into a C4H4 fragment and a sulfur atom is possible,with an energetic barrier of 0.40 eV.     

A NEW MODEL FOR ESTIMATION OF DIFFUSION COEFFICIENT OF PHENOL DESORPTION WITHIN POLYMERIC RESIN UNDER ULTRASOUND

1. INTRODUCTION Ultrasound is a kind of mechanical wave whose frequency is more than 20 kilohertz. It can enhance the mass transfer, increase the rate and conversion of chemical reaction, change the reaction pathway [1,2] and accelerate the conversion of…     

NEW OSCILLATING CHEMICAL REACTIONS WITH THE PARTICIPATION OF A COPPER（Ⅱ）TETRAAZAMACROCYCLIC COMPLEX

ＮＥＷ　ＯＳＣＩＬＬＡＴＩＮＧ　ＣＨＥＭＩＣＡＬ　ＲＥＡＣＴＩＯＮＳ　ＷＩＴＨ　ＴＨＥ　ＰＡＲＴＩＣＩＰＡＴＩＯＮ　ＯＦ　Ａ　ＣＯＰＰＥＲ（Ⅱ）ＴＥＴＲＡＡＺＡＭＡＣＲＯＣＹＣＬＩＣ　ＣＯＭＰＬＥＸＮＥＷＯＳＣＩＬＬＡＴＩＮＧＣＨＥＭＩＣＡＬＲＥＡＣ...     

乳酸杆菌A09吸附还原Ag（Ⅰ）的谱学表征

Pooley[1]发现氧化亚铁硫杆菌(Thiobacillusferroxidans)和氧化硫硫杆菌(Thiobacillusthiooxidans)能在其细胞表面累积银,形成Ag2S,每克干重细胞吸附250mgAg2S.文献[2]也报导了类似的研究结果.一些霉菌也具有吸收金、银等重金属的能力[3].Brierley等[4]研究了用微生物制备回收贵金属的去除剂(MRA),用它能从摄影废液中回收银,每克MRA累积94mgAg;同时指出,贵金属生物吸附也包含金属离子被还原为金属的过程.在微生物吸附还原贵金属前期研究[5－9]的基础上,我们从金、银矿土等不同来源的细菌菌株中,筛选获得一株吸附、还原Ag＋…