Thermodynamics of Hydrogen

The production of hydrogen from hydrocarbons can be broken down into three key chemical reactions (1) steam methane reforming, (2) partial oxidation, and (3) water gas shift. 

Partial oxidation refers to a chemical reaction where hydrocarbons react with oxygen in a sub-stoichiometric bum reaction to produce carbon monoxide and hydrogen. Partial oxidation technologies require oxygen as a feedstock. Several other reactions take place in the partial combustion zone that contribute to the overall heat provided by the partial oxidation reaction. 

The partial oxidation (POX) reaction is highly exothennic and provides the heat required for the steam methane reforming reaction that occurs following the eonversion of hydroearbons to earbon monoxide and hydrogen. The partial oxidation reaction is favored by high temperature and high pressure. However, the higher the pressure the more likely that alternative reaction pathways will lead to the formation of earbon. 

The water gas shift (WGS) reaction is where carbon monoxide is shifted on a mole per mole basis to hydrogen by the flowing reaction  

The water gas shift reaction is favored by low temperature and is mildly exothermic. The WGS reaction is typically the final reaction step that produces hydrogen in a multiple reactor train. Since the WGS reaction is favored by low temperature, it is typieally included in the heat recovery train down stream of the high temperature reactors. See Table 2 for thermodynamic and equilibrium data. 

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K. Aoki, M. Kamachi, T. Masumoto, Thermodynamics of hydrogen absorption in amorphous Zr-Ni alloys, J. Non-Crystalline Solids 61-62 (1984) 679-684. 

Henry M. 2002. Thermodynamics of hydrogen bond patterns in supramolecular assemblies of water molecules. ChemPhys Chem 3 607-616. 

Thermodynamics of Hydrogenation Reactions for Hydrocarbons and Fullerene Cm in the Gas State... 

The University of Gdansk, Poland, has played a crucial role in my teaching and research on the thermodynamics of hydrogen bonding in nonaqueous solvents and engine oils physicochemistry, where I was Professor of Chemistry until 1990. 

On the base of this approach thermodynamics of hydrogen absorbed outside and inside the (10,10) and the (20,20) single-wall carbon nanotubes with diameters 13.56 A and 27.13 A, respectively, was calculated. The dependencies of free energy F and thermodynamical potential H on applied pressure P and temperature T were calculated. The dependencies of content of hydrogen adsorbed on nanotubes m(P,T) surface on pressure and temperature were calculated from these data. For the first time the dependencies of m(P,T) with accounting of quantum effects and van der Waals forces were calculated. 

Fedorov, A.S., Ovchinnikov, S.G. (2004) Density and thermodynamics of hydrogen adsorbed inside narrow carbon nanotubes, Physics of Solid State 46(3), 584-589. 

DiPaola-Baranyi, G. Guillet J. E. Jeberien, H. -E. Klein, J. E., "Thermodynamic of Hydrogen Bonding Polymer-Solute Interactions by Inverse Gas Chromatography," Makromol. Chem., 181, 215 (1980). 

In the fugacity-based thermodynamics of hydrogen fuel the match between AGg and AG p + AC p is inexact, due to the influence of pressure on non-ideal water properties. 

The experimental determination of Aff and AS sometimes yields surprising results, as, for example, in the thermodynamics of hydrogen-bond formation in the complex of FK506 or rapamycin with FK506-binding protein (FKBP). " Binding to the wild-type and to the mutant Tyr 82 Phe 82 was... 

Kindermarm, H. (2006) Thermodynamik der Wasserstoffspeichemng. [Thermodynamics of Hydrogen Storage]. Diploma thesis, HyCentA Graz, Montanuniversitat Leoben. 

Flanagan, T.B. (2001) The thermodynamics of hydrogen solution in perfect and defective metals alloys, in Progress in Hydrogen Treatment of Materials (ed. V.A. Goltsov), Donetsk State Technical University, Donetsk, pp. 37. 

In order to determine to what extent these speculations have validity, it is necessary to be able to evaluate more quantitatively the relative contributions of these interactions to the free energies of protein and nucleic acid molecules in water and nonaqueous solvents. For this purpose, a substantial body of quantitative data is required concerning the properties of suitable model compounds in a variety of solvents, including their solubilities, acid-base dissociation constants, and thermodynamics of hydrogen bond formation. The dearth of pertinent data on hydrogen bonds in solvents of interest is particularly frustrating to even a semiquantitative evaluation of the scheme presented in Fig. 7. 

A.S. Ingason and S. Olafsson, Thermodynamics of hydrogen uptake in Mg films studied by resistance measurements, J. All. Compds. 404 06 (2005) 469 72. 

The thermodynamics of hydrogen bonding can be described in terms of the Helmholtz energy ... 

Barz, D.P. Tragner, U.K. Schmidt, V.M. Koschowitz, M. Thermodynamics of hydrogen generation from methane for domestic polymer electrolyte fuel cell systems. Fuel Cells 2004, 3 (4), 199-207. 

Otero Arean C, Manoilova O V, Bonelli B, Rodriguez Delgado M, Turnes Palomino G and Garrone E (2003), Thermodynamics of hydrogen adsorption on the zeolite Li-ZSM-5 , Chem Phys Lett, 370, 631. 

In view of the current interest in highly sterically hindered aryl phosphorus compounds the report of dipole moment studies of trimesityl- and triphenyl-phosphine oxides is worth noting. The thermodynamics of hydrogen-bonded complexes of triphenylphosphine oxide and various alkylarylphosphine oxides with a number of hydroxyl-containing compounds have been studied. 

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