Calibration-Free Estimates of Batch Process Yields and Detection of Process Upsets Using in Situ Spectroscopic Measurements and Nonisothermal Kinetic Models:  4-(Dimethylamino)pyridine- Catalyzed Esterification of Butanol

2004 ◽  
Vol 76 (9) ◽  
pp. 2575-2582 ◽  
Author(s):  
Paul Gemperline ◽  
Graeme Puxty ◽  
Marcel Maeder ◽  
Dwight Walker ◽  
Frank Tarczynski ◽  
...  
2012 ◽  
Vol 45 (6) ◽  
pp. 1261-1269 ◽  
Author(s):  
Olaf J. Borkiewicz ◽  
Badri Shyam ◽  
Kamila M. Wiaderek ◽  
Charles Kurtz ◽  
Peter J. Chupas ◽  
...  

This article presents a versatile easy-to-use electrochemical cell suitable forin operando,in situmeasurements of battery materials during electrochemical cycling using a variety of X-ray techniques. Argonne's multi-purposein situX-ray (AMPIX) cell provides reliable electrochemical cycling over extended periods owing to the uniform stack pressure applied by rigid X-ray windows and the formation of a high-fidelity hermetic seal. The suitability of the AMPIX cell for a broad range of synchrotron-based X-ray scattering and spectroscopic measurements has been demonstrated with studies at eight Advanced Photon Source beamlines to date. Compatible techniques include pair distribution function analysis, high-resolution powder diffraction, small-angle scattering and X-ray absorption spectroscopy. These techniques probe a broad range of electronic, structural and morphological features relevant to battery materials. The AMPIX cell enables experiments providing greater insight into the complex processes that occur in operating batteries by allowing the electrochemical reactions to be probed at fine reaction intervals with greater consistency (within the charge–discharge cycle and between different methodologies) with potential for new time-dependent kinetic studies or studies of transient species. Representative X-ray and electrochemical data to demonstrate the functionality of the AMPIX cell are presented.


2004 ◽  
Vol 16 (24) ◽  
pp. 2058-2064 ◽  
Author(s):  
Heike Kahlert ◽  
Tim Steinhardt ◽  
J�rgen Behnert ◽  
Fritz Scholz

2014 ◽  
Author(s):  
E. A. Cavanzo ◽  
S. F. Muñoz ◽  
A.. Ordoñez ◽  
H.. Bottia

Abstract In Situ Combustion is an enhanced oil recovery method which consists on injecting air to the reservoir, generating a series of oxidation reactions at different temperature ranges by chemical interaction between oil and oxygen, the high temperature oxidation reactions are highly exothermic; the oxygen reacts with a coke like material formed by thermal cracking, they are responsible of generating the heat necessary to sustain and propagate the combustion front, sweeping the heavy oil and upgrading it due to the high temperatures. Wet in situ combustion is variant of the process, in which water is injected simultaneously or alternated with air, taking advantage of its high heat capacity, so the steam can transport heat more efficiently forward the combustion front due to the latent heat of vaporization. A representative model of the in situ combustion process is constituted by a static model, a dynamic model and a kinetic model. The kinetic model represents the oxidative behavior and the compositional changes of the crude oil; it is integrated by the most representative reactions of the process and the corresponding kinetic parameters of each reaction. Frequently, the kinetic model for a dry combustion process has Low Temperature Oxidation reactions (LTO), thermal cracking reactions and the combustion reaction. For the case of wet combustion, additional aquathermolysis reactions take place. This article presents a full review of the kinetic models of the wet in situ combustion process taking into account aquathermolysis reactions. These are hydrogen addition reactions due to the chemical interaction between crude oil and steam. The mechanism begins with desulphurization reactions and subsequent decarboxylation reactions, which are responsible of carbon monoxide production, which reacts with steam producing carbon dioxide and hydrogen; this is the water and gas shift reaction. Finally, during hydrocracking and hydrodesulphurization reactions, hydrogen sulfide is generated and the crude oil is upgraded. An additional upgrading mechanism during the wet in situ combustion process can be explained by the aquathermolysis theory, also hydrogen sulphide and hydrogen production can be estimated by a suitable kinetic model that takes into account the most representative reactions involved during the combustion process.


2012 ◽  
Vol 750 (2) ◽  
pp. 159 ◽  
Author(s):  
E. Landi ◽  
J. R. Gruesbeck ◽  
S. T. Lepri ◽  
T. H. Zurbuchen

2017 ◽  
Vol 19 (11) ◽  
pp. 8034-8045 ◽  
Author(s):  
Shweta Hegde ◽  
Kalsang Tharpa ◽  
Satyanarayana Reddy Akuri ◽  
Rakesh K. ◽  
Ajay Kumar ◽  
...  

Dimethyl oxalate (DMO) decomposition was investigated on various catalytic materials. In situ spectroscopic measurements revealed that DMO decomposition is observed more on acidic surfaces and is dependent on the presence of surface hydroxyl groups.


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