U.S. flag

An official website of the United States government

Dot gov

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Https

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

PubAg

Main content area

You searched for: Subject term catalysts Remove constraint Subject term: catalysts Subject term heat production Remove constraint Subject term: heat production Text availability Citation in PubAg Remove constraint Text availability: Citation in PubAg
Start Over

Search

176  Search Results

« Previous | 1 - 50 of 176 |
Number of results to display per page

Search Results

1. Thermoanalytical Studies on the Durable-Press Curing of Cellulose : Part II: The Effect of Nitrate Salts on the Thermal1 Behavior of Cotton

Author:
Bernard Miller
Source:
Textile research journal 1968 v.38 no.4 pp. 395-400
ISSN:
0040-5175
Subject:
catalysts; cellulose; cotton; crosslinking; differential thermal analysis; fabrics; heat production; nitrates; nitrogen dioxide; temperature; textile fibers; thermal properties; thermogravimetry; weight loss; zinc
Abstract:
... In the course of a series of thermoanalytical investigations on durable-press curing processes for cotton, attention has been focused on the acid salt catalysts. Studies on the sequence and nature of the chemical events occurring during heating through the tem perature range of a typical durable-press cure have been carried out by using differential thermal analysis (DTA) and thermogravimetric ana ...
DOI:
10.1177/004051756803800410

2. Susceptibility of a heterogeneous catalyst, Rh/γ-alumina, to rapid structural change by exposure to NO

Author:
Tom Campbell; Andrew J. Dent; Sofia Diaz-Moreno; John Evans; Steven G. Fiddy; Mark A. Newton; Sandra Turin
Source:
Chemical communications 2002 v. no.4 pp. 304-305
ISSN:
1364-548X
Subject:
aluminum oxide; catalysts; chemical reactions; heat production; nitric oxide; particle size; rhodium
Abstract:
... Metal particles in a Rh/γ-Al₂O₃ catalyst of differing particle size are oxidised by NO/He within 5 seconds at 313 K; rapid, highly exothermic dissociative chemisorption of NO is the initial step. ...
DOI:
10.1039/b106846f

3. A thermodynamic investigation of solvent-free reactions

Author:
Waldo H. Correa; J. Kate Edwards; Adam McCluskey; Ian McKinnon; Janet L. Scott
Source:
Green chemistry 2003 v.5 no.1 pp. 30-33
ISSN:
1463-9270
Subject:
catalysts; condensation reactions; drugs; green chemistry; heat production; imines; solvents
Abstract:
... A series of solvent-free condensation reactions have been studied calorimetrically, with the goal of determining feasibility of scale-up in the realisation of potentially greener processes, in which the use of auxiliary compounds, such as solvents, are obviated. Knoevenagel reactions leading to intermediates used in the production of 1,4-dihydropyridine drugs, and in drug libraries currently under ...
DOI:
10.1039/b210220j

4. Chemoselective Hydrogenation of Nitro Compounds with Supported Gold Catalysts

Author:
Corma, Avelino; Serna, Pedro
Source:
Science 2006 v.313 no.5785 pp. 332-334
ISSN:
0036-8075
Subject:
catalysts; cyclohexanones; ferric oxide; gold; heat production; hydrogen; hydrogenation; nanogold; nitro compounds; reducing agents; titanium dioxide
Abstract:
... The selective reduction of a nitro group when other reducible functions are present is a difficult process that often requires stoichiometric amounts of reducing agents or, if H₂ is used, the addition of soluble metals. Gold nanoparticles supported on TiO₂ or Fe₂O₃ catalyzed the chemoselective hydrogenation of functionalized nitroarenes with H₂ under mild reaction conditions that avoided the accum ...
DOI:
10.1126/science.1128383

5. Coupling of glycerol processing with Fischer–Tropsch synthesis for production of liquid fuels

Author:
Dante A. Simonetti; Jeppe Rass-Hansen; Edward L. Kunkes; Ricardo R. Soares; James A. Dumesic
Source:
Green chemistry 2007 v.9 no.10 pp. 1073-1083
ISSN:
1463-9270
Subject:
Fischer-Tropsch reaction; acetone; alkanes; byproducts; capital; carbon; carbon monoxide; catalysts; catalytic activity; chemical industry; distillation; endothermy; ethanol; fuels; glycerol; green chemistry; heat production; hydrogen; liquids; methanol; platinum; rhenium; ruthenium; synthesis gas; temperature; titanium dioxide
Abstract:
... Liquid alkanes can be produced directly from glycerol by an integrated process involving catalytic conversion to H₂/CO gas mixtures (synthesis gas) combined with Fischer–Tropsch synthesis. Synthesis gas can be produced at high rates and selectivities suitable for Fischer–Tropsch synthesis (H₂/CO between 1.0 and 1.6) from concentrated glycerol feed solutions at low temperatures (548 K) and high pre ...
DOI:
10.1039/b704476c

6. Cu–Y zeolite supported on silicon carbide for the vapour phase oxidative carbonylation of methanol to dimethyl carbonate

Author:
Guillaume Rebmann; Valérie Keller; Marc J. Ledoux; Nicolas Keller
Source:
Green chemistry 2008 v.10 no.2 pp. 207-213
ISSN:
1463-9270
Subject:
carbonates; catalysts; composite materials; green chemistry; heat production; methanol; silicon carbide; surface area; temperature; vapors; zeolites
Abstract:
... A medium surface area β-SiC supported Cu–Y zeolite composite catalyst was prepared by performing the zeolite synthesis in the presence of the β-SiC grains. The composite material was used as a catalyst for the vapour phase oxidative carbonylation of methanol to dimethyl carbonate, with improved space time yields of dimethyl carbonate and limited influence of the temperature. The composite catalyst ...
DOI:
10.1039/b712705g

7. Catalytic activity of Cu₂O micro-particles with different morphologies in the thermal decomposition of ammonium perchlorate

Author:
Bojun Heng; Ting Xiao; Xiaoyan Hu; Ming Yuan; Wei Tao; Wei Huang; Yiwen Tang
Source:
Thermochimica acta 2011 v.524 no.1-2 pp. 135-139
ISSN:
0040-6031
Subject:
X-ray diffraction; catalysts; catalytic activity; copper; crystal structure; cuprous oxide; heat production; perchlorates; scanning electron microscopy; solvents; surface area; thermal degradation
Abstract:
... Catalytic activity of cuprous oxide (Cu₂O) micro-particles with cubic, octahedral, truncated-octahedral and hollow opened sphere structures for thermal decomposition of ammonium perchlorate (AP) was investigated in this paper. Cu₂O with different morphologies were synthesized through one-pot hydrothermal method, which is based on the reduction of Cu(II) with d-(+)-glucose in an alkalic solvent. Mo ...
DOI:
10.1016/j.tca.2011.07.004

8. Medium/high temperature water gas shift reaction in a Pd–Ag membrane reactor: an experimental investigation

Author:
Adele Brunetti; Enrico Drioli; Giuseppe Barbieri
Source:
RSC advances 2011 v.2 no.1 pp. 226-233
ISSN:
2046-2069
Subject:
carbon monoxide; catalysts; coal; gasification; heat production; hydrogen; hydrogen production; industrial applications; palladium; permeability; silver; synthesis gas; temperature
Abstract:
... In the hydrogen production cycle the syngas stream coming out from reformers or coal gasification plants contains a large percentage of H₂ (ca. 50%) and CO (ca 45%). In fact, it is systematically upgraded by a water gas shift reaction (WGS) in order to convert the CO present and, at the same time, to produce further hydrogen. Water gas shift is an exothermic thermodynamics limited reaction and the ...
DOI:
10.1039/c1ra00569c

9. Novel catalyst structures with enhanced heat transfer characteristics

Author:
Min Sheng; Hongyun Yang; Donald R. Cahela; Bruce J. Tatarchuk
Source:
Journal of catalysis 2011 v.281 no.2 pp. 254-262
ISSN:
0021-9517
Subject:
aluminum oxide; catalysts; copper; foams; heat production; heat transfer; heat transfer coefficient; temperature; thermal conductivity
Abstract:
... Highly exothermic and highly endothermic reactions require catalyst beds with good heat transfer characteristics. A novel catalyst structure, microfibrous entrapped catalyst (MFEC) structure, made of high thermal conductive metals can significantly improve heat transfer efficiency, compared with traditional packed beds (PB). First, the thermal parameters of metal MFEC were determined experimentall ...
DOI:
10.1016/j.jcat.2011.05.006

10. Oxygen-enhanced water gas shift on ceria-supported Pd–Cu and Pt–Cu bimetallic catalysts

Author:
Junichiro Kugai; Jeffrey T. Miller; Neng Guo; Chunshan Song
Source:
Journal of catalysis 2011 v.277 no.1 pp. 46-53
ISSN:
0021-9517
Subject:
alloys; carbon dioxide; carbon monoxide; catalysts; catalytic activity; cerium; copper; desorption; fuel cells; gases; heat production; hydrogen; hydrogen production; liquids; nanoparticles; oxidation; oxygen; palladium; platinum; surfaces; temperature; water
Abstract:
... Aiming at enhancing H₂ production in water gas shift (WGS) for fuel cell application, a small amount of oxygen was added to WGS reaction toward oxygen-enhanced water gas shift (OWGS) on ceria-supported bimetallic Pd–Cu and Pt–Cu catalysts. Both CO conversion and H₂ yield were found to increase by the oxygen addition. The remarkable enhancement of H₂ production by O₂ addition in short contact time ...
DOI:
10.1016/j.jcat.2010.10.014

11. A New Type of Strong Metal–Support Interaction and the Production of H2 through the Transformation of Water on Pt/CeO2(111) and Pt/CeOx/TiO2(110) Catalysts

Author:
Bruix Albert; Rodriguez José A.; Ramírez Pedro J.; Senanayake Sanjaya D.; Evans Jaime; Park Joon B.; Stacchiola Dario; Liu Ping; Hrbek Jan; Illas Francesc
Source:
Journal of the American Chemical Society 2012 v.134 no.21 pp. 8968-8974
ISSN:
1520-5126
Subject:
catalysts; ceric oxide; chemical bonding; copper; dissociation; geometry; heat production; hydrogen; methodology; nanoparticles; titanium dioxide
Abstract:
... The electronic properties of Pt nanoparticles deposited on CeO₂(111) and CeOₓ/TiO₂(110) model catalysts have been examined using valence photoemission experiments and density functional theory (DFT) calculations. The valence photoemission and DFT results point to a new type of “strong metal–support interaction” that produces large electronic perturbations for small Pt particles in contact with cer ...
DOI:
10.1021/ja302070k

12. Design and Fabrication of a High-Throughput Microreactor and Its Evaluation for Highly Exothermic Reactions

Author:
Peela Nageswara Rao; Lee Ivan C.; Vlachos Dionisios G.
Source:
Industrial & Engineering Chemistry Research 2012 v.51 no.50 pp. 16270-16277
ISSN:
1520-5045
Subject:
catalysts; equipment design; heat production; kinetics; oxidation; propane
Abstract:
... The effect of distributor and channel positions on flow uniformity in a high-throughput reactor is studied using a COMSOL MULTIPHYSICS, CFD package. The best design is subsequently fabricated and evaluated for propane total oxidation reaction at low conversions. Comparison of our design with a literature design is also presented. The results indicate that the conical distributor performs significa ...
DOI:
10.1021/ie302093u

13. Evaluating the Effects of Precious Metal Distribution along a Monolith-Supported Catalyst for CO oxidation

Author:
Al-Adwani Suad M.; Soares Joao; Epling William S.
Source:
Industrial & Engineering Chemistry Research 2012 v.51 no.19 pp. 6672-6679
ISSN:
1520-5045
Subject:
active sites; carbon monoxide; carbon monoxide poisoning; catalysts; emissions; engineering; heat production; metals; oxidation; temperature
Abstract:
... Zone-coated diesel oxidation catalysts (DOCs) can be used to obtain overall improved performance in oxidation reaction extents. However, why this occurs and under what conditions an impact is expected are unknown. In order to demonstrate why these catalysts work better than their standard counterparts and how significant the improved performance is, the CO oxidation performance over a series of Pt ...
DOI:
10.1021/ie202969u

14. Mathematical Modeling and Numerical Simulation of a Fischer–Tropsch Packed Bed Reactor and Its Thermal Management for Liquid Hydrocarbon Fuel Production using Biomass Syngas

Author:
Lee Tae Seok; Chung J. N.
Source:
Energy & Fuels 2012 v.26 no.2 pp. 1363-1379
ISSN:
1520-5029
Subject:
biomass; carbon; catalysts; chemical reactions; fuel production; gasification; heat production; hydrocarbons; mass transfer; mathematical models; pellets; porous media; prediction; reaction kinetics; synthesis gas; synthetic fuels; temperature profiles; water vapor
Abstract:
... A mathematical modeling and numerical simulation study has been carried out for a liquid hydrocarbon production system using syngas from biomass gasification. The system is based on a Fischer–Tropsch packed bed reactor with an external heat removal sink. To ensure the accurate prediction of exothermic heat release, the chemical reaction kinetics is modeled with a comprehensive product distribution ...
DOI:
10.1021/ef201667a

15. Mechanism of Formation of Volatile Organic Compounds from Oxidation of Linseed Oil

Author:
Juita ; Dlugogorski Bogdan Z.; Kennedy Eric M.; Mackie John C.
Source:
Industrial & Engineering Chemistry Research 2012 v.51 no.16 pp. 5653-5661
ISSN:
1520-5045
Subject:
aldehydes; catalysts; energy; engineering; free radicals; geometry; heat production; hydrogen; hydroperoxides; ketones; linseed oil; oxidation; oxygen; volatile organic compounds
Abstract:
... The pathways of volatile organic compound (VOC) formation have been investigated through a computational study, employing the Gaussian 03 suite of programs. We optimized geometries and zero-point vibrational energies (ZPVEs) at the B3LYP/6-31G(d) level of theory and improved electronic energies by conducting single-point energy calculations using the large 6-311++G(3df,3pd) basis set. To describe ...
DOI:
10.1021/ie202536n

16. Reaction path analysis of propane selective oxidation over V₂O₅ and V₂O₅/TiO₂

Author:
Konstantinos Alexopoulos; Marie-Françoise Reyniers; Guy B. Marin
Source:
Journal of catalysis 2012 v.289 no. pp. 127-139
ISSN:
0021-9517
Subject:
1-propanol; acetone; activation energy; active sites; catalysts; dehydrogenation; heat production; hydrogen; oxidation; oxygen; propane; propylene; titanium dioxide
Abstract:
... The selective oxidation of propane on the vanadyl and bridging oxygen sites of the fully oxidized (001) V₂O₅ surface and of an epitaxial vanadia monolayer supported on (001) TiO₂ anatase is analysed using periodic density functional theory (DFT). Both the oxidative dehydrogenation leading to propene and the formation of oxygenated products, namely n-propanol, i-propanol, propanal and acetone, are ...
DOI:
10.1016/j.jcat.2012.01.019

17. Catalytic partial oxidation of methane on platinum investigated by spatial reactor profiles, spatially resolved spectroscopy, and microkinetic modeling

Author:
Oliver Korup; Claude Franklin Goldsmith; Gisela Weinberg; Michael Geske; Timur Kandemir; Robert Schlögl; Raimund Horn
Source:
Journal of catalysis 2013 v.297 no. pp. 1-16
ISSN:
0021-9517
Subject:
Raman spectroscopy; carbon; catalysts; electron microscopy; foams; heat production; mass transfer; methane; models; oxidation; oxygen; platinum; prediction; transportation
Abstract:
... Spatially resolved profile measurements, Raman spectroscopy, electron microscopy, and microkinetic modeling have been used to study the catalytic partial oxidation of methane on Pt. The measured species profiles through Pt coated foam catalysts exhibit a two-zone structure: an abrupt change in reaction rates separates the fast exothermic oxidation chemistry at the entrance of the reactor from the ...
DOI:
10.1016/j.jcat.2012.08.022

18. Differential Evolution Strategy for Optimization of Hydrogen Production via Coupling of Methylcyclohexane Dehydrogenation Reaction and Methanol Synthesis Process in a Thermally Coupled Double Membrane Reactor

Author:
Amirabadi Shahab; Kabiri Sedigheh; Vakili Reza; Iranshahi Davood; Rahimpour Mohammad Reza
Source:
Industrial & Engineering Chemistry Research 2013 v.52 no.4 pp. 1508-1522
ISSN:
1520-5045
Subject:
algorithms; catalysts; crystallization; dehydrogenation; endothermy; engineering; heat production; heat transfer; hydrogen; hydrogen production; liquids; mass transfer; methanol; models; palladium; prediction; silver; toluene
Abstract:
... The present paper focuses on optimization of a thermally coupled double membrane methanol reactor (TCDMR). This novel configuration is used in order to increase methanol production and achieve pure hydrogen. To reach this goal, the exothermic methanol synthesis reaction is coupled with endothermic dehydrogenation of methylcyclohexane to improve the heat transfer between the endothermic and exother ...
DOI:
10.1021/ie301583w

19. Dynamic Modeling To Study Reversible Poisoning of a Catalytic Bed

Author:
Somasi Sweta; Witt Paul M.; Calverley Edward M.; Livingston Dana A.; Herceg Eldad
Source:
Industrial & Engineering Chemistry Research 2013 v.52 no.44 pp. 15330-15341
ISSN:
1520-5045
Subject:
adsorption; ammonia; catalysts; desorption; dynamic models; engineering; heat production; hydrolysis; mathematical models; poisoning; steam; temperature; transition elements; zeolites
Abstract:
... Catalyst poisoning in tubular reactors is a common problem in many chemical processes using a variety of catalysts including zeolites and transition metals. It was observed in a plant operation that a trace impurity, ammonia found in ppm level, decreases the active life of the mordenite catalyst bed considerably. A mathematical model that describes the reversible deactivation phenomena can help ma ...
DOI:
10.1021/ie400616b

20. Equilibrium Model and Performances of an Isopropanol–Acetone–Hydrogen Chemical Heat Pump with a Reactive Distillation Column

Author:
Xu Min; Xin Fang; Li Xunfeng; Huai Xiulan; Guo Jiangfeng; Liu Hui
Source:
Industrial & Engineering Chemistry Research 2013 v.52 no.11 pp. 4040-4048
ISSN:
1520-5045
Subject:
catalysts; dehydrogenation; distillation; engineering; exergy; heat production; heat pumps; isopropyl alcohol; kinetics; mathematical models; nickel; temperature
Abstract:
... The intrinsic kinetic of the liquid-phase dehydrogenation of isopropanol over an amorphous Raney nickel catalyst was determined to be in the temperature range of 348 to 355 K. The kinetic model based on the Langmuir–Hinshelwood mechanism was adopted for experimental data fitting. An isopropanol–acetone–hydrogen chemical heat pump (IAH–CHP) with a reactive distillation column was proposed in this p ...
DOI:
10.1021/ie3028872

21. Mixed Alcohol Synthesis over a K Promoted Cu/ZnO/Al2O3 Catalyst in Supercritical Hexanes

Author:
Xu Rui; Zhang Sihe; Roberts Christopher B.
Source:
Industrial & Engineering Chemistry Research 2013 v.52 no.41 pp. 14514-14524
ISSN:
1520-5045
Subject:
aluminum oxide; carbon dioxide; catalysts; copper; engineering; heat production; hexane; isomers; methane; methanol; solvents; synthesis gas; temperature; zinc oxide
Abstract:
... Mixed alcohol synthesis (MAS) from syngas involves an overall reduction in the number of moles (i.e., volume reduction) and is highly exothermic. As such, the high-pressure, dense-phase solvent conditions of a supercritical reaction medium afford opportunities to enhance the performance of these reactions. In this paper, the effect of supercritical hexanes (a mixture of hexane isomers) on the reac ...
DOI:
10.1021/ie3024017

22. Separation of Tungsten from Mo-Rich Leach Liquor by Adsorption onto a Typical Fe–Mn Cake: Kinetics, Equilibrium, Mechanism, and Thermodynamics Studies

Author:
Srivastava Rajiv Ranjan; Kim Min-seuk; Lee Jae-chun
Source:
Industrial & Engineering Chemistry Research 2013 v.52 no.49 pp. 17591-17597
ISSN:
1520-5045
Subject:
adsorption; ammonia; byproducts; catalysts; engineering; equations; heat production; iron; leaching; manganese; sorption isotherms; temperature; tungsten
Abstract:
... A typical mixed hydrated oxide cake of iron and manganese (FMC) was used to adsorb and separate tungsten from Mo-rich leach liquor obtained from the ammonia leaching of oxidatively roasted, spent hydro-desulfurization catalysts. The FMC considered in this study is itself a byproduct of the ammoniacal leaching of reduced manganese nodules. To yield a maximum tungsten-to-molybdenum separation factor ...
DOI:
10.1021/ie402434a

23. Steady-State Simulation of a Novel Annular Multitubular Reactor for Enhanced Methanol Production

Author:
Alarifi Abdulaziz; Elkamel Ali; Croiset Eric
Source:
Industrial & Engineering Chemistry Research 2013 v.52 no.44 pp. 15387-15393
ISSN:
1520-5045
Subject:
aluminum oxide; byproducts; catalysts; cupric oxide; distillation; engineering; heat production; methanol; models; profitability; synthesis gas; temperature profiles; zinc oxide
Abstract:
... In this study, a one-dimensional heterogeneous model with intraparticle diffusion limitation has been developed for methanol synthesis from syngas. The synthesis gas produced from the reformer is compressed at a pressure of 60–100 bar and then heated up to 200–250 °C in order to prepare it for the methanol production reaction. Syngas reacts on a copper oxide/zinc oxide/alumina catalyst. The annula ...
DOI:
10.1021/ie4006589

24. Theoretical Study of the Catalytic Mechanism of E1 Subunit of Pyruvate Dehydrogenase Multienzyme Complex from Bacillus stearothermophilus

Author:
Sheng Xiang; Liu Yongjun
Source:
Biochemistry 2013 v.52 no.45 pp. 8079-8093
ISSN:
1520-4995
Subject:
Geobacillus stearothermophilus; acylation; aerobiosis; carbon dioxide; catalysts; decarboxylation; energy; heat production; multienzyme complexes; pyruvate dehydrogenase (lipoamide); pyruvic acid
Abstract:
... Pyruvate dehydrogenase multienzyme complex (PDHc) is a member of a family of 2-oxo acid dehydrogenase (OADH) multienzyme complexes involved in several central points of oxidative metabolism, and the E1 subunit is the most important component in the entire PDHc catalytic system, which catalyzes the reversible transfer of an acetyl group from a pyruvate to the lipoyl group of E2 subunit lipoly domai ...
DOI:
10.1021/bi400577f

25. Azopyridine-functionalized benzoxazine with Zn(ClO₄)₂ form high-performance polybenzoxazine stabilized through metal–ligand coordination

Author:
Mohamed Gamal Mohamed; Wei-Chen Su; Yung-Chih Lin; Chih-Feng Wang; Jem-Kun Chen; Kwang-Un Jeong; Shiao-Wei Kuo
Source:
RSC advances 2014 v.4 no.92 pp. 50373-50385
ISSN:
2046-2069
Subject:
4-aminopyridine; aniline; catalysts; contact angle; crosslinking; diazonium compounds; differential scanning calorimetry; heat production; mixing; models; perchlorates; phenol; photoisomerization; polymerization; sodium hydroxide; sodium nitrite; temperature; thermal properties; ultraviolet-visible spectroscopy; zinc
Abstract:
... In this study, we prepared a benzoxazine monomer (Azopy-BZ) that features azobenzene and pyridine units through the reaction of paraformaldehyde, aniline, and 4-(4-hydroxphenylazo)pyridine (Azopy-OH), which is obtained through a diazonium reaction of 4-aminopyridine with phenol in the presence of sodium nitrite and NaOH. The azobenzene and pyridine groups in the benzoxazine monomer play the follow ...
DOI:
10.1039/c4ra08381d

26. Benzene Destruction in Claus Process by Sulfur Dioxide: A Reaction Kinetics Study

Author:
Sinha Sourab; Raj Abhijeet; AlShoaibi Ahmed S.; Alhassan Saeed M.; Chung Suk Ho
Source:
Industrial & Engineering Chemistry Research 2014 v.53 no.26 pp. 10608-10617
ISSN:
1520-5045
Subject:
benzene; catalysts; chemical bonding; energy; engineering; furnaces; gases; heat production; hydrogen sulfide; methodology; oxidation; oxygen; reaction kinetics; soot; sulfur dioxide; toluene; xylene
Abstract:
... Benzene, toluene and xylene (BTX) are present as contaminants in the H₂S gas stream entering a Claus furnace. The exhaust gases from the furnace enter catalytic units, where BTX form soot particles. These particles clog and deactivate the catalysts. A solution to this problem is BTX oxidation before the gases enter catalyst beds. This work presents a theoretical investigation on benzene oxidation ...
DOI:
10.1021/ie501732a

27. Catalyst Distribution Strategies in Fixed-Bed Reactors for Bromine Production

Author:
Moser Maximilian; Rodríguez-García Laura; Pérez-Ramírez Javier
Source:
Industrial & Engineering Chemistry Research 2014 v.53 no.22 pp. 9067-9075
ISSN:
1520-5045
Subject:
alkanes; bromine; catalysts; catalytic activity; ceric oxide; chlorine; economics; engineering; gases; halides; heat production; hydrobromic acid; hydrochloric acid; hydrogen; models; oxidation; polyurethanes; temperature
Abstract:
... The gas-phase oxidation of hydrogen halides to the corresponding halogens has gained industrial relevance following the recent discovery of active and stable heterogeneous catalysts based on RuO₂ and CeO₂. These developments originated from the need of polyurethane and polycarbonate producers to recycle the large amounts of byproduct HCl to Cl₂ for further use in the phosgenation step. More recent ...
DOI:
10.1021/ie4036675

28. Effect of Thermal Degradation on the CO, C3H6, and NO Oxidation Performance of Pt/Al2O3 with a Zoned Distribution of Pt

Author:
Abedi Ali; Epling William
Source:
Industrial & Engineering Chemistry Research 2014 v.53 no.14 pp. 5692-5700
ISSN:
1520-5045
Subject:
air; atmospheric pressure; catalysts; engineering; heat production; nitric oxide; ovens; oxidation; oxygen; temperature; thermal degradation
Abstract:
... Temperature-programmed oxidation (TPO) experiments were used to evaluate the performance of uniformly (standard) and nonuniformly (zoned) distributed Pt/Al₂O₃ catalysts after homogeneous and heterogeneous thermal degradation. Both catalysts were homogeneously aged in an oven by exposing the entire catalyst to 750 °C in air for 4 h at atmospheric pressure. In heterogeneous aging, only the back of t ...
DOI:
10.1021/ie403317w

29. Effective Arrangement of an External Recycle in Reactive Distillation Columns

Author:
Huang Kejin; Chen Haisheng; Zhang Liang; Wang Shaofeng; Liu Wei
Source:
Industrial & Engineering Chemistry Research 2014 v.53 no.5 pp. 1986-1998
ISSN:
1520-5045
Subject:
acetates; acetic acid; catalysts; chemical equilibrium; distillation; energy; engineering; esterification; ethanol; heat production; methanol; transesterification
Abstract:
... For reactive distillation columns separating reacting mixtures with somewhat unfavorable relative volatilities (e.g., the reactants are the light and heaviest components and the products are the lightest and heavy ones), a novel process configuration with an external recycle from the bottom to a certain stage of the reactive section is proposed in this article. The flow rate and location of the ex ...
DOI:
10.1021/ie402597h

30. Heat Transfer Study on Hydrocracking of Paraffin Wax over Microfiber-Wrapped Catalyst

Author:
Jiang Jian; Yang Chao; Sun Jibing; Dong Zhaohui; Li Tao; Cao Fahai
Source:
Industrial & Engineering Chemistry Research 2014 v.53 no.14 pp. 5683-5691
ISSN:
1520-5045
Subject:
catalysts; copper; engineering; heat production; heat transfer; liquids; nickel; papermaking; paraffin wax; temperature
Abstract:
... The microfibrous entrapped Pt/SAB catalyst (MFEC) was prepared by wet lay-up papermaking with a sintering process. The MFEC with Cu-fibers and Ni-fibers has excellent heat transfer properties compare to traditional catalysts via thermal measurements. Thereof, CuMF-Pt/SAB catalyst has lower catalytic properties due to the fact that Cu contaminates the catalyst during the sintering process. Although ...
DOI:
10.1021/ie402551q

31. Interfacial Bonding Stabilizes Rhodium and Rhodium Oxide Nanoparticles on Layered Nb Oxide and Ta Oxide Supports

Author:
Strayer Megan E.; Binz Jason M.; Tanase Mihaela; Kamali Shahri Seyed Mehdi; Sharma Renu; Rioux Robert M.; Mallouk Thomas E.
Source:
Journal of the American Chemical Society 2014 v.136 no.15 pp. 5687-5696
ISSN:
1520-5126
Subject:
X-radiation; X-ray absorption spectroscopy; absorption; aluminum oxide; calorimetry; catalysts; chemical bonding; enthalpy; heat production; nanoparticles; nanosheets; rhodium; silica; surface area; temperature; titration; transmission electron microscopy
Abstract:
... Metal nanoparticles are commonly supported on metal oxides, but their utility as catalysts is limited by coarsening at high temperatures. Rhodium oxide and rhodium metal nanoparticles on niobate and tantalate supports are anomalously stable. To understand this, the nanoparticle–support interaction was studied by isothermal titration calorimetry (ITC), environmental transmission electron microscopy ...
DOI:
10.1021/ja412933k

32. Investigation of Multistage Circulating Fast Fluidized Bed Membrane Reformers for Production of Ultraclean Hydrogen and Syngas

Author:
Abashar Mohamed E. E.; Elnashaie Said S. E. H.
Source:
Industrial & Engineering Chemistry Research 2014 v.53 no.12 pp. 4565-4579
ISSN:
1520-5045
Subject:
carbon dioxide; catalysts; endothermy; energy conservation; engineering; fluidized beds; heat production; hydrogen; mathematical models; oxidation; synthesis gas
Abstract:
... A rigorous mathematical model is implemented to simulate multistage circulating fast fluidized bed membrane reformers (CFFBMRs) for production of ultraclean hydrogen and a high-grade syngas. Discrete physically well-mixed catalysts are employed in this study. It has been shown that enhancement of the water–gas shift reaction (WGS) by addition of CO in the feed coupled with the heat release from th ...
DOI:
10.1021/ie402356b

33. No Catalyst Addition and Highly Efficient Dissociation of H2O for the Reduction of CO2 to Formic Acid with Mn

Author:
Lyu Lingyun; Zeng Xu; Yun Jun; Wei Feng; Jin Fangming
Source:
Environmental Science & Technology 2014 v.48 no.10 pp. 6003-6009
ISSN:
1520-5851
Subject:
carbon dioxide; catalysts; dissociation; energy; formic acid; greenhouse effect; greenhouse gas emissions; heat production; manganese; sodium bicarbonate; solar energy
Abstract:
... The “greenhouse effect” caused by the increasing atmospheric CO₂ level is becoming extremely serious, and thus, the reduction of CO₂ emissions has become an extensive, urgent, and long-term task. The dissociation of water for CO₂ reduction with solar energy is regarded as one of the most promising methods for the sustainable development of the environment and energy. However, a high solar-to-fuel ...
DOI:
10.1021/es405210d

34. Pt monatomic wire supported on graphene nanoribbon for oxygen reduction reaction

Author:
B. B. Xiao; X. Y. Lang; Q. Jiang
Source:
RSC advances 2014 v.4 no.54 pp. 28400-28408
ISSN:
2046-2069
Subject:
Gibbs free energy; catalysts; catalytic activity; density functional theory; electrochemistry; energy; fuel cells; graphene; heat production; nanomaterials; platinum
Abstract:
... Among the issues inherent to fuel cells, the high cost of the Pt electrocatalyst restricts its widespread application. Controlling nano- or subnano-material structures could improve the utilization of Pt. Here, the catalytic activity of the oxygen reduction reaction (ORR) on Pt monatomic wire that is supported on the zigzag edges of graphene nanoribbon (Pt–GNR) is studied using density functional ...
DOI:
10.1039/c4ra03387f

35. Rapid Ether and Alcohol C–O Bond Hydrogenolysis Catalyzed by Tandem High-Valent Metal Triflate + Supported Pd Catalysts

Author:
Li Zhi; Assary Rajeev S.; Atesin Abdurrahman C.; Curtiss Larry A.; Marks Tobin J.
Source:
Journal of the American Chemical Society 2014 v.136 no.1 pp. 104-107
ISSN:
1520-5126
Subject:
alcohols; alkanes; catalysts; chemical bonding; endothermy; ethers; heat production; hydrogenation; palladium
Abstract:
... The thermodynamically leveraged conversion of ethers and alcohols to saturated hydrocarbons is achieved efficiently with low loadings of homogeneous M(OTf)ₙ + heterogeneous Pd tandem catalysts (M = transition metal; OTf = triflate; n = 4). For example, Hf(OTf)₄ mediates rapid endothermic ether ⇌ alcohol and alcohol ⇌ alkene equilibria, while Pd/C catalyzes the subsequent, exothermic alkene hydroge ...
DOI:
10.1021/ja411546r

36. Small-Scale Biogas-SOFC Plant: Technical Analysis and Assessment of Different Fuel Reforming Options

Author:
Tjaden B.; Gandiglio M.; Lanzini A.; Santarelli M.; Järvinen M.
Source:
Energy & Fuels 2014 v.28 no.6 pp. 4216-4232
ISSN:
1520-5029
Subject:
activated carbon; agricultural wastes; biogas; catalysts; effluents; electrochemistry; energy; energy crops; fuel cells; heat production; hydrogen sulfide; livestock; methane; models; organic wastes; oxidation; steam; streams; sulfur; zinc oxide
Abstract:
... This paper investigates simulation results of the thermodynamic performance of a 25 kWₑₗ small-scale solid oxide fuel cell model fuelled with biogas. Hereby, biogas is produced from a predefined group of substrates, namely, livestock effluents, energy crops, agricultural waste, and organic waste. For the analysis, average methane (CH₄) content is assumed to lie between 50 and 60 mol % as large sea ...
DOI:
10.1021/ef500212j

37. Solid Solution Alloy Nanoparticles of Immiscible Pd and Ru Elements Neighboring on Rh: Changeover of the Thermodynamic Behavior for Hydrogen Storage and Enhanced CO-Oxidizing Ability

Author:
Kusada Kohei; Kobayashi Hirokazu; Ikeda Ryuichi; Kubota Yoshiki; Takata Masaki; Toh Shoichi; Yamamoto Tomokazu; Matsumura Syo; Sumi Naoya; Sato Katsutoshi; Nagaoka Katsutoshi; Kitagawa Hiroshi
Source:
Journal of the American Chemical Society 2014 v.136 no.5 pp. 1864-1871
ISSN:
1520-5126
Subject:
X-ray diffraction; alloy nanoparticles; catalysts; catalytic activity; chemical reduction; endothermy; heat production; hydrogen
Abstract:
... PdₓRu₁–ₓ solid solution alloy nanoparticles were successfully synthesized over the whole composition range through a chemical reduction method, although Ru and Pd are immiscible at the atomic level in the bulk state. From the XRD measurement, it was found that the dominant structure of PdₓRu₁–ₓ changes from fcc to hcp with increasing Ru content. The structures of PdₓRu₁–ₓ nanoparticles in the Pd c ...
DOI:
10.1021/ja409464g

38. Support Effect in Oxide Catalysis: Methanol Oxidation on Vanadia/Ceria

Author:
Kropp Thomas; Paier Joachim; Sauer Joachim
Source:
Journal of the American Chemical Society 2014 v.136 no.41 pp. 14616-14625
ISSN:
1520-5126
Subject:
adsorption; catalysts; catalytic activity; ceric oxide; dehydrogenation; desorption; electrons; formaldehyde; heat production; interphase; ions; methanol; methodology; models; oxidation; temperature; vanadium
Abstract:
... Density functional theory is used for periodic models of monomeric vanadia species deposited on the CeO₂(111) surface to study dissociative adsorption of methanol and its subsequent dehydrogenation to formaldehyde. Dispersion-corrected PBE+U calculations are performed and compared with HSE and B3LYP results. Dissociative adsorption of methanol at different sites on VO₂·CeO₂(111) is highly exotherm ...
DOI:
10.1021/ja508657c

39. Synthesis and thermal behaviors of 1,8-dihydroxy-4,5-dinitroanthraquinone barium salt

Author:
Ying-Lei Wang; Feng-Qi Zhao; Yue-Ping Ji; Qi-Long Yan; Jian-Hua Yi; Si-Yu Xu; Yang Luo; Xian-Ming Lu
Source:
Journal of analytical and applied pyrolysis 2014 v.105 pp. 295-300
ISSN:
0165-2370
Subject:
Fourier transform infrared spectroscopy; Gibbs free energy; activation energy; barium; carbon dioxide; carbon monoxide; catalysts; combustion; differential scanning calorimetry; enthalpy; entropy; heat production; mass spectrometry; nitric oxide; pyrolysis; soot; temperature; thermal properties; thermogravimetry
Abstract:
... A novel energetic green combustion catalyst, 1,8-dihydroxy-4,5-dinitroanthraquinone barium salt (DHDNEBa), was firstly synthesized by the process of metathesis reaction with a yield of 95.7%, and its structure and thermal behavior were characterized by IR, elemental analysis, thermogravimetry analysis (TGA) and differential scanning calorimetry (DSC). The thermal decomposition kinetics and mechani ...
DOI:
10.1016/j.jaap.2013.11.016

40. Toluene Destruction in the Claus Process by Sulfur Dioxide: A Reaction Kinetics Study

Author:
Sinha Sourab; Raj Abhijeet; AlShoaibi Ahmed S.; Alhassan Saeed M.; Chung Suk Ho
Source:
Industrial & Engineering Chemistry Research 2014 v.53 no.42 pp. 16293-16308
ISSN:
1520-5045
Subject:
benzene; catalysts; chemical bonding; cleavage (chemistry); energy; engineering; free radicals; heat production; hydrogen sulfide; methodology; oxidation; oxygen; reaction kinetics; soot; sulfur; sulfur dioxide; toluene; xylene
Abstract:
... The presence of aromatics such as benzene, toluene, and xylene (BTX) as contaminants in the H₂S gas stream entering Claus sulfur recovery units has a detrimental effect on catalytic reactors, where BTX forms soot particles and clogs and deactivates the catalysts. BTX oxidation, before they enter catalyst beds, can solve this problem. A theoretical investigation is presented on toluene oxidation by ...
DOI:
10.1021/ie502617r

41. A DFT study of the role of the Lewis acid catalysts in the [3 + 2] cycloaddition reaction of the electrophilic nitrone isomer of methyl glyoxylate oxime with nucleophilic cyclopentene

Author:
Abdelmalek Khorief Nacereddine; Hatem Layeb; Fouad Chafaa; Wassila Yahia; Abdelhafid Djerourou; Luis Ramon Domingo
Source:
RSC advances 2015 v.5 no.79 pp. 64098-64105
ISSN:
2046-2069
Subject:
Lewis acids; Lewis bases; activation energy; catalysts; catalytic activity; cations; cycloaddition reactions; heat production; isomers; lithium; solvation; solvents; stereoselectivity
Abstract:
... The molecular mechanism and stereoselectivity of the BF₃ Lewis acid catalyzed [3 + 2] cycloaddition (32CA) reaction between C-methoxycarbonyl nitrone and cyclopentene has been theoretically studied using DFT methods at the MPWB1K/6-31G(d) computational level. The BF₃ catalyst accelerates the 32CA reaction by decreasing the activation energy leading to the formation of the trans cycloadduct as the ...
DOI:
10.1039/c5ra09139j

42. A low-temperature partial-oxidation-methanol micro reformer with high fuel conversion rate and hydrogen production yield

Author:
Hsueh-Sheng Wang; Kuo-Yang Huang; Yuh-Jeen Huang; Yu-Chuan Su; Fan-Gang Tseng
Source:
Applied energy 2015 v.138 pp. 21-30
ISSN:
0306-2619
Subject:
air; argon (noble gases); catalysts; fuel cells; fuels; gas chromatography; heat production; hydrogen; hydrogen production; methanol; mixing; oxidation; oxygen; scanning electron microscopy; spectrometers; temperature
Abstract:
... A partial oxidation methanol micro reformer (POM-μReformer) with finger-shaped channels for low operating temperature and high conversing efficiency is proposed in this study. The micro reformer employs POM reaction for low temperature operation (less than 200°C), exothermic reaction, and quick start-up, as well as air feeding capability; and the finger type reaction chambers for increasing cataly ...
DOI:
10.1016/j.apenergy.2014.10.033

43. Ammonia borane confined by poly(methyl methacrylate)/multiwall carbon nanotube nanofiber composite, as a polymeric hydrogen storage material

Author:
J. Alipour; A. M. Shoushtari; A. Kaflou
Source:
Journal of materials science 2015 v.50 no.8 pp. 3110-3117
ISSN:
0022-2461
Subject:
X-ray diffraction; ammonia; byproducts; carbon; carbon nanotubes; catalysts; crystal structure; dehydrogenation; enthalpy; heat production; hydrogen; nanofibers; temperature; weight loss
Abstract:
... In this work, poly(methyl methacrylate)/ammonia borane/multiwall carbon nanotube (PMMA/AB/MWCNT) nanofiber composites have been fabricated and the synergetic nanoconfinement effect of nanofiber and CNT components on dehydrogenation temperature and liberating unwanted byproducts of AB (NH₃BH₃) have been studied. The results of dehydrogenation of PMMA/AB and PMMA/AB/MWCNT samples show 112 and 85 °C ...
DOI:
10.1007/s10853-015-8871-x

44. Competing Mechanisms, Substituent Effects, and Regioselectivities of Nickel-Catalyzed [2 + 2 + 2] Cycloaddition between Carboryne and Alkynes: A DFT Study

Author:
Mu Wei-Hua; Xia Shu-Ya; Li Ji-Xiang; Fang De-Cai; Wei Gang; Chass Gregory A
Source:
Journal of organic chemistry 2015 v.80 no.18 pp. 9108-9117
ISSN:
1520-6904
Subject:
Gibbs free energy; Lewis bases; alkynes; catalysts; cycloaddition reactions; heat production; isomerization; isomers; methodology; models; nickel; organic chemistry; reaction mechanisms; solvents
Abstract:
... Competing reaction mechanisms, substituent effects, and regioselectivities of Ni(PPh₃)₂-catalyzed [2 + 2 + 2] carboryne–alkyne cycloadditions were characterized by density functional theory using the real chemical systems and solvent effects considered. A putative mechanism involving the following steps was characterized: (1) exothermic carboryne–catalyst complexation and nucleophilic attack by th ...
DOI:
10.1021/acs.joc.5b01464

45. Crystal structure, thermal decomposition, mechanical sensitivity of Na[CL-14·2H₂O] and its catalytic effect on the thermal decomposition of ammonium nitrate

Author:
Jian Cheng; Yan Dong; Hui Ma; Lixia Li; Zuliang Liu; Fengqi Zhao; Siyu Xu
Source:
RSC advances 2015 v.5 no.79 pp. 64358-64367
ISSN:
2046-2069
Subject:
Fourier transform infrared spectroscopy; Gibbs free energy; X-ray diffraction; activation energy; ammonium nitrate; carbon dioxide; catalysts; catalytic activity; crystal structure; endothermy; enthalpy; entropy; equations; friction; heat production; mass spectrometry; nitric oxide; sodium carbonate; temperature; thermal degradation; thermogravimetry
Abstract:
... A one-dimensional energetic complex (Na[CL-14·2H₂O]) constructed from sodium and 5,7-diamino-4,6-dinitrobenzofuroxan (CL-14) was synthesized, and its crystal structure was analyzed by X-ray diffraction. The crystal belongs to a monoclinic system with space group P2₁/c. The complex possesses a one-dimensional coordination framework based on the [ONaN]ₙ chain, which might result in its low sensitivi ...
DOI:
10.1039/c5ra13156a

46. Design and Assessment of an IGCC Concept with CO2 Capture for the Co-Generation of Electricity and Substitute Natural Gas

Author:
Timo Blumberg; Max Sorgenfrei; George Tsatsaronis
Source:
Sustainability 2015 v.7 no.12 pp. 16213-16225
ISSN:
2071-1050
Subject:
carbon; catalysts; cleaning; electricity; electricity generation; gasification; heat production; methane production; models; natural gas; synthesis gas; Denmark
Abstract:
... The focus of this work is on the modeling and the thermodynamic evaluation of an integrated gasification combined cycle (IGCC) for the co-production of electricity and substitute natural gas (SNG). At first, an IGCC with CO2 capture for electricity generation is analyzed. Coal-derived syngas is conditioned in a water gas shift unit (WGS), and cleaned in an acid gas removal system includ ...
DOI:
10.3390/su71215811

47. Large-Area Preparation of High-Quality and Uniform Three-Dimensional Graphene Networks through Thermal Degradation of Graphene Oxide–Nitrocellulose Composites

Author:
Zhang Xin; Ziemer Katherine S.; Zhang Kun; Ramirez Donald; Li Li; Wang Shiren; Hope-Weeks Louisa J.; Weeks Brandon L.
Source:
ACS Applied Materials & Interfaces 2015 v.7 no.2 pp. 1057-1064
ISSN:
1944-8252
Subject:
binding agents; capacitance; catalysts; electrodes; energy; graphene; graphene oxide; heat production; methodology; porosity; thermal degradation
Abstract:
... We demonstrate a simple method to prepare high-quality and uniform three-dimensional (3D) graphene networks through thermal degradation of graphene oxide (GO)–nitrocellulose composites over a large area. The nitrocellulose simultaneously acts as a support and aids in the reduction of GO by exothermic decomposition. The graphene networks have tunable porous morphology where the pore size can be con ...
DOI:
10.1021/am508909h

48. Micropatterning of nanoenergetic films of Bi₂O₃/Al for pyrotechnics

Author:
Vinay Kumar Patel; Anurup Ganguli; Rishi Kant; Shantanu Bhattacharya
Source:
RSC advances 2015 v.5 no.20 pp. 14967-14973
ISSN:
2046-2069
Subject:
aluminum; catalysts; catalytic activity; differential scanning calorimetry; gold; heat production; nanogold; nanosheets; nitrogen; silicon; temperature; thermogravimetry
Abstract:
... Initiatives have been led by researchers all around the world to deposit and pattern nanoenergetic films (nEFs) using various techniques so that printed energetic circuits can be developed for initiation of detonation. In the first stage of a similar initiative, Bi₂O₃ nano-square tablets (NSTs) with an edge length of ca. 200–300 nm and thickness of ca. 50–100 nm were synthesized on gold-sputtered ...
DOI:
10.1039/c4ra15476b

49. Microreactor Approaches for Liquid Fuel Production from Bioderived Syngas −5 m3/h Prototype Development for HTHP Water Gas Shift

Author:
Piermartini Paolo; Pfeifer Peter
Source:
Industrial & Engineering Chemistry Research 2015 v.54 no.16 pp. 4561-4571
ISSN:
1520-5045
Subject:
biomass; carbon dioxide; carbon monoxide; catalysts; catalytic activity; coatings; engineering; ethane; feedstocks; fuel production; gasification; heat production; hydrogen; iron; liquids; mathematical models; methane; powders; prototypes; synthesis gas; temperature
Abstract:
... A lab-scale microstructured reactor was used for investigations on enhancing the H₂/CO ratio in synthesis gas from biomass feedstocks via the water gas shift reaction at elevated pressure and temperature. A model mixture of carbon monoxide, carbon dioxide, water, and hydrogen was used to reproduce the typical synthesis gas composition from dry biomass gasification. Catalyst powders were prepared a ...
DOI:
10.1021/ie402491c

50. Modifications in the Thermicity of the Pyrolysis Reactions of ZnCl2-Loaded Wood

Author:
Di Blasi C.; Branca C.; Galgano A.; Zenone F.
Source:
Industrial & Engineering Chemistry Research 2015 v.54 no.51 pp. 12741-12749
ISSN:
1520-5045
Subject:
acid treatment; additives; catalysts; chlorides; crosslinking; depolymerization; engineering; heat production; pyrolysis; sulfuric acid; temperature; wood; zinc
Abstract:
... The influence of the loaded zinc chloride content (0–11 wt %, dry sample basis) on the pyrolysis of beechwood particles packed in a bench-scale bed was studied. Given an external heating temperature of 655 K, the temporal profiles of the thermal field showed maximum values progressively increasing from 683 to 790 K as the catalyst content was increased from 0 to about 5 wt %. Based on cumulative c ...
DOI:
10.1021/acs.iecr.5b03694