Berichte der Bunsengesellschaft für physikalische Chemie最新文献_第3页

Structure and Electrochemical Properties of the Cathode/Electrolyte Interface in the Planar SOFC 平面SOFC阴极/电解质界面结构及电化学性能研究

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199800010

M. Kuznecov, P. Otschik, K. Eichler, W. Schaffrath

引用次数: 6

Quantum Wells within Quantum Dots, a CdS/HgS Nanoheterostructure with Global and Local Confinement 量子点内的量子阱，具有全局和局部约束的CdS/HgS纳米异质结构

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199800003

Alf Mews, Alexander Eychmüller

引用次数: 19

Models of Matter Transport: Their Verification and Use for Dilute Systems with the Aid of Statistical Theories 物质输运模型:在统计理论的帮助下对稀系统的验证和应用

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700043

A.R. Allnatt

{"title":"Models of Matter Transport: Their Verification and Use for Dilute Systems with the Aid of Statistical Theories","authors":"A.R. Allnatt","doi":"10.1002/bbpc.199700043","DOIUrl":"10.1002/bbpc.199700043","url":null,"abstract":"Statistical expressions for the Onsager phenomenological coefficients are now available for several models of matter transport in systems which are dilute in solutes, vacancies and interstitials. They describe transport by unpaired and paired defects, as in the familiar five-frequency model. The role of atomistic calculations of the parameters of such models in validating, simplifying or improving them is illustrated. In general it may be difficult to convincingly determine from experiment all the parameters of a given model or to distinguish between closely related models, such as between those retaining first or first and second neighbour binding between a solute and a vacancy. Nevertheless, there is particular utility in knowledge of all the Onsager coefficients for models suggested by atomistic calculations and other information, when one interprets phenomena involving coupled fluxes. This is illustrated by the example of coupled fluxes of a solute, vacancies and interstitials in a dilute alloy under steady irradiation by high energy particles. Here, essential contributions to modelling solute segregation to grain boundaries can be made; striking qualitative differences between closely related models can occur in this case. Finally, the limitations of the current statistical results are examined for systems where the solutes and defects carry effective charges. Limitations are suggested at low temperatures by the existence of a phase transition in the restricted primitive model of dilute aqueous electrolytes. The range of concentration and temperature within which the current procedures, stemming from the early work of Teltow and Lidiard, have been properly validated is limited. In the absence of recent theoretical advances Monte Carlo simulation is becoming the method of choice in investigating such limitations and in studying the transition to higher concentrations where there are larger clusters of defects.","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"101 9","pages":"1303-1310"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199700043","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"100746850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Thermal Decomposition of NH2 and NH Radicals NH2和NH自由基的热分解

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199800016

J. Deppe, G. Friedrichs, A. Ibrahim, H.-J. Römming, H. Gg. Wagner

{"title":"The Thermal Decomposition of NH2 and NH Radicals","authors":"J. Deppe, G. Friedrichs, A. Ibrahim, H.-J. Römming, H. Gg. Wagner","doi":"10.1002/bbpc.199800016","DOIUrl":"10.1002/bbpc.199800016","url":null,"abstract":"The formation of NH2 and NH radicals as well as H and N atoms during the thermal decomposition of hydrazine was investigated over a wide temperature range. For the first time frequency-modulated spectroscopy was used for the detection of NH2 radicals behind shock waves. In comparison with the dual beam laser absorption technique, the detection limit has been improved by one and a half orders of magnitude.For reaction (5a) NH2 + M → NH + H + M the rate constants were obtained in the temperature range from 2200 to 4000 Kk5a = (1.2 ± 0.5)1015 · exp[-(318±10) kJ mol−1/RT] cm3/mol sand for reaction (6) NH + M → N + H + M in the temperature range from 2500 to 3400 Kk6 = (1.8 ± 0.8)1014 · exp[-(313 ± 15)kJ mol−1/RT] cm3/mol s.The experimental apparent activation energies were found to be in good agreement with theoretical calculations and recently recommended enthalpies of formation for NH2 and NH. The competing NH2 decomposition channel (5b) NH2 + M → N + H2 + M was shown to be of minor importance (⩽ 5%). The kinetic behavior of the unimolecular decomposition of NH2 is compared with that of H20 and 3CH2.","PeriodicalId":100156,"journal":{"name":"Berichte der Bunsengesellschaft für physikalische Chemie","volume":"102 10","pages":"1474-1485"},"PeriodicalIF":0.0,"publicationDate":"2014-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/bbpc.199800016","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"97645637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 24

Recent Studies of Localized Modes in Crystals 晶体中局域模式的最新研究

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700029

M.J.L. Sangster

引用次数: 0

Kinetic Study of the Fe(bpy)2+3 +S2O2−8 Reaction in Solvent Mixtures 溶剂混合物中Fe(bpy)2+3 +S2O2−8反应动力学研究

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700006

M.S. Matamoros-Fontenla, P. Pérez, P. López, R. Prado-Gotor, R. de la Vega, F. Sánchez

引用次数: 5

Theoretical Studies of the Relative Cross Sections and Transition State Spectroscopy of Cl+Na2(3 ≤ v″ ≤ 19) → [NaNaCl]‡ *→ NaCl+Na* Cl+Na2(3≤v″≤19)→[NaNaCl]‡*→NaCl+Na*的相对截面和过渡态光谱的理论研究

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700016

Ming-Liang Wang, Ke-Li Han, Guo-Zhong He, Nan-Quan Lou

引用次数: 9

High-Pressure Picosecond Time-Resolved Fluorescence Studies on the Excited Intramolecular Charge-Transfer Kinetics of 4-(9-Anthrylmethyl)-N,N-Dimethylaniline in Alcohol 酒精中4-(9-蒽甲基)- n, n -二甲基苯胺分子内激发态电荷转移动力学的高压皮秒时间分辨荧光研究

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700005

Kimihiko Hara, Dmitry S. Bulgarevich, Okitsugu Kajimoto

引用次数: 0

The Heat of Transport of Solute Atoms in Solid Argon 固体氩中溶质原子的输运热

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199700031

Clive Jones, P.J. Grout, A.B. Lidiard

引用次数: 6

C. W. Gardiner: Handbook of Stochastic Methods, 2nd edn., Springer, Berlin, 1997, 29 Abb., 442 Seiten, ISBN 3-540-61634-9, Softcover 68,00 DM C. W. Gardiner:随机方法手册，第2版。， Springer, Berlin, 1997, 29 Abb.， 442 Seiten, ISBN 3-540-61634-9, Softcover 68,000 DM

Berichte der Bunsengesellschaft für physikalische Chemie Pub Date : 2014-03-18 DOI: 10.1002/bbpc.199800027

S. Kast

引用次数: 1