نتایج جستجو برای: enthalpy of hydrogen dissolution

تعداد نتایج: 21182932  

Journal: :Physical chemistry chemical physics : PCCP 2012
Lucas K Wagner Eric H Majzoub Mark D Allendorf Jeffrey C Grossman

Nanoscale Li and intermetallic Al-Mg metal hydride clusters are investigated as a possible hydrogen storage material using the high-level quantum Monte Carlo computational method. Lower level methods such as density functional theory are qualitatively, not quantitatively accurate for the calculation of the enthalpy of absorption of H(2). At sizes around 1 nm, it is predicted that Al/Mg alloyed ...

2005
P. A. Mosier-Boss S. Szpak

Recent years have witnessed renewed interest in the hydrogen economy, with emphasis n the metal/hydrogen system and its application to energy conversion efforts. Two ndustrially important aspects are emphasized, viz. the amount of hydrogen stored and the ate at which it can be transferred (absorbed/desorbed) because they are crucial factors in he design and construction of electrochemical energ...

Journal: :Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 2009
Debapriya Banerjee Pramod Kumar Verma Samir Kumar Pal

The influence of ion dissolution in water is still controversial. The challenge posed to the existing concept of dissolved ions acting as water structure makers and structure breakers through recent studies calls for more experimental evidence. The temperature-dependent relaxation dynamics of water in bulk and in ionic salt solutions can give an idea about the hydrogen-bonded network and hence ...

2005
Mark Saeys Marie-Françoise Reyniers Joris W. Thybaut Matthew Neurock Guy B. Marin

A fundamental kinetic model for the hydrogenation of toluene over platinum has been constructed, based on detailed first-principles density functional theory calculations for the hydrogenation of benzene over Pt(111). A Langmuir–Hinshelwood–Hougen–Watson (LHHW) kinetic model was derived based on an ab initio reaction path analysis [M. Saeys, M.-F. Reyniers, M. Neurock, G.B. Marin, J. Phys. Chem...

Journal: :The Journal of chemical physics 2016
Royce K Lam Jacob W Smith Richard J Saykally

While methanol and ethanol are macroscopically miscible with water, their mixtures exhibit negative excess entropies of mixing. Despite considerable effort in both experiment and theory, there remains significant disagreement regarding the origin of this effect. Different models for the liquid mixture structure have been proposed to address this behavior, including the enhancement of the water ...

2015
Wenwen Cui Jingming Shi Hanyu Liu Yansun Yao Hui Wang Toshiaki Iitaka Yanming Ma

We present results from first-principles calculations on silane (SiH4) under pressure. We find that a three dimensional P-3 structure becomes the most stable phase above 241 GPa. A prominent structural feature, which separates the P-3 structure from previously observed/predicted SiH4 structures, is that a fraction of hydrogen leaves the Si-H bonding environment and forms segregated H2 units. Th...

Journal: :Proceedings of the National Academy of Sciences of the United States of America 1983
M P McCarthy N M Allewell

Reaction microcalorimetry and potentiometry have been used to define the thermodynamics of assembly of Escherichia coli aspartate transcarbamoylase (aspartate carbamoyltransferase, carbamoylphosphate:L-aspartate carbamoyltransferase, EC 2.1.3.2) from its catalytic and regulatory subunits and the linkage between assembly and proton binding. Over the pH range 7-9.5 and the temperature range 15-30...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده حقوق و علوم سیاسی 1392

پرداخت نفقه یکی از وظایف اساسی زوج در مقابل همسرش می باشد. علاوه بر دوران زوجیت، پس از انحلال نکاح در برخی از موارد، مرد همچنان موظف به پرداخت نفقه می باشد. در این پایان نامه به روش کتابخانه ای، به بررسی نفقه پس از انحلال نکاح پرداخته شده و سوال اصلی این است که در چه مواردی از انحلال نکاح مرد موظف به پرداخت نفقه می باشد؟ در قانون مدنی فقط به چند مورد از اسباب انحلال نکاح اشاره شده است ولی اسب...

Journal: :Acta pharmaceutica 2010
Dalwadi Sonali Soni Tejal Thakkar Vaishali Gandhi Tejal

The influence of preparation methodology of silymarin solid dispersions using a hydrophilic polymer on the dissolution performance of silymarin was investigated. Silymarin solid dispersions were prepared using HPMC E 15LV by kneading, spray drying and co-precipitation methods and characterized by FTIR, DSC, XRPD and SEM. Dissolution profiles were compared by statistical and model independent me...

2004
C. S. WANG

The hydriding kinetics of hydrogen storage materials in the two-phase regions have been studied. It is believed that the hydriding process is best classified into three steps: dissolution of hydrogen into the alloy or its hydride; diffusion of hydrogen atoms through the alloy or its hydride phase; and nucleation and growth of B-hydride (hydride depositing from supersaturated a-solid solution). ...

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