Chemical activation as a probe of reaction mechanism. Synthesis and thermal decomposition of 2,3-diazabicyclo[2.1.1]hex-2-enes

1984 ◽  
Vol 106 (15) ◽  
pp. 4211-4217 ◽  
Author(s):  
Moon Ho Chang ◽  
Rakesh Jain ◽  
Dennis A. Dougherty
Keyword(s):  
Thermal Decomposition ◽  
Reaction Mechanism ◽  
Chemical Activation ◽  
Mechanism Synthesis

Reaction Mechanism for the Thermal Decomposition of BCl3/CH4/H2Gas Mixtures

2011 ◽  
Vol 115 (42) ◽  
pp. 11579-11588 ◽  
Author(s):  
Guillaume Reinisch ◽  
Gérard L. Vignoles ◽  
Jean-Marc Leyssale
Keyword(s):  
Thermal Decomposition ◽  
Reaction Mechanism

scholarly journals Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials

2015 ◽  
Vol 3 (22) ◽  
pp. 12044-12050 ◽  
Author(s):  
Cai-Chao Ye ◽  
Qi An ◽  
Tao Cheng ◽  
Sergey Zybin ◽  
Saber Naserifar ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermal Decomposition ◽  
Reaction Mechanism ◽  
Energetic Materials ◽  
Quantum Molecular Dynamics

A variety of initial reactions are favorable for MTO and MTO3N, two possible candidates for green energetic materials.

scholarly journals Thermally prepared Ti/RhOx electrodes: II H2 evolution in acid solution

2002 ◽  
Vol 56 (6) ◽  
pp. 231-237 ◽  
Author(s):  
Mario Campari ◽  
Ana Tavares ◽  
Sergio Trasatti
Keyword(s):  
Thermal Decomposition ◽  
Cyclic Voltammetry ◽  
Steady State ◽  
Reaction Mechanism ◽  
Acid Solution ◽  
Reaction Order ◽  
H2so4 Solution ◽  
H2 Evolution ◽  
Final Settlement ◽  
Fractional Reaction

Ti/RhOx electrodes were prepared at 400-600?C by thermal decomposition of Rh chloride. Oxide layers were studied by SEM, cyclic voltammetry and steady-state E-j curves In 0.5 mol dm-3 H2SO4 solution. Voltammetric charge exhibits a maximum at 430?C with fresh electrodes which shifts to 470?C after use for H2 evolution. H2 discharge first produces a decrease in voltammetric charge, then an activation with final settlement to a constant behaviour for "aged" electrodes. H2 evolution on stable RhOx surfaces takes place with 40 mV Tafel slope and a reaction order of 2.5. The fractional reaction order indicates that the surface response to pH is that typical of oxides even for "aged" electrodes. A reaction mechanism is proposed.

scholarly journals Removal of Volatile Toluene Using K2CO3-Activated Carbon Adsorbents Prepared from Buckwheat Hull

Pollutants ◽  
2022 ◽  
Vol 2 (1) ◽  
pp. 12-20
Author(s):  
Tomoya Takada ◽  
Ryo Tanaka ◽  
Ryoto Ono
Keyword(s):  
Thermal Decomposition ◽  
Potassium Carbonate ◽  
Chemical Activation ◽  
Carbon Adsorbents ◽  
Waste Biomass ◽  
Toluene Concentration ◽  
Mesoporous Adsorbent ◽  
Iodine Adsorption ◽  
Gaseous Toluene ◽  
Fagopyrum Esculentum Moench

Carbon adsorbents for use in the removal of gaseous toluene from the air were prepared from buckwheat (Fagopyrum esculentum Moench) hull. A chemically-activated adsorbent was prepared via the impregnation of raw hull powder with potassium carbonate, followed by thermal decomposition. The chemically-activated adsorbent exhibited improved adsorption capacity for toluene compared to the adsorbent prepared without chemical activation. Toluene concentration in the air decreased from 220 ppm to 160 ppm during 24 h of adsorption using unactivated adsorbent. Only a trace amount of toluene remained after the adsorption under the same conditions using K2CO3-activated adsorbent. This improvement was explained based on experimental results, specifically, iodine adsorption tests, methylene blue adsorption tests, and microscopic observations. Chemical activation dramatically increased the specific surface area of the adsorbent and created mesopores capable of adsorbing toluene. This study revealed that a mesoporous adsorbent for use in volatile toluene removal can be prepared from waste biomass (buckwheat hull) by chemical activation using potassium carbonate.

scholarly journals Forward Looking Analysis Approach to Assess Copper Acetate Thermal Decomposition Reaction Mechanism

2019 ◽  
Vol 10 (05) ◽  
pp. 153-170 ◽  
Author(s):  
Itab Youssef ◽  
Sécou Sall ◽  
Thierry Dintzer ◽  
Sana Labidi ◽  
Corinne Petit
Keyword(s):  
Thermal Decomposition ◽  
Reaction Mechanism ◽  
Copper Acetate ◽  
Decomposition Reaction ◽  
Analysis Approach ◽  
Forward Looking

Effect of Co-precursor Maliec Anhydride on the Thermal Decomposition of Acetyl Ferrocene: A Reaction Kinetic Analysis

2019 ◽  
Vol 9 (1) ◽  
pp. 22-35
Author(s):  
Bratati Das ◽  
Ashis Bhattacharjee
Keyword(s):  
Activation Energy ◽  
Thermal Decomposition ◽  
Reaction Mechanism ◽  
Kinetic Analysis ◽  
Reaction Rate ◽  
Reaction Kinetic ◽  
Step Process ◽  
Probable Reaction Mechanism ◽  
Probable Reaction ◽  
Reaction Atmosphere

Background: Thermal decomposition of iron-bearing organometallic complex acetyl ferrocene, (C5H4COCH3)Fe(C5H5), leads to hematite (α-Fe2O3) nanoparticles. Presence of maliec anhydride, C4H2O3 as co-precursor during thermal decomposition modifies the size of the particles as well as the quantity of the reaction product significantly. Objective: Kinetic analysis of the solid-state thermal reaction of acetyl ferrocene in the presence of varying amount of co-precursor maliec anhydride under inert reaction atmosphere has been studied in order to understand the reaction mechanism involved behind the formation of hematite and the role of co-precursor in the reaction process. For this purpose, reaction kinetic analysis of three mixtures of acetyl ferrocene and maliec anhydride has been carried out. Methods: Thermogravimetry under non-isothermal protocol with multiple heating rates has been employed. The data are analyzed using model-free iso-conversional kinetic techniques to estimate the activation energy of reaction and reaction rate. The most-probable reaction mechanism has been identified by master plot method. The kinetic triplets (activation energy, reaction rate, most probable reaction mechanism function) have been employed to estimate the thermodynamic triplets (ΔS, ΔH and ΔG). Observations: Acetyl Ferrocene (AFc) undergoes thermal decomposition in a four-step process leaving certain residual mass whereas maliec anhydride (MA) undergoes complete mass loss owing to melting followed by evaporation. In contrast, the (AFc1-x-MAx) mixtures undergo thermal decomposition through a two-step process, and the decompositions are completed at much lower temperatures than that in AFc. The estimated activation energy and reaction rate values are found strongly dependent on the extent of conversion as well as on the extent of mixing. Introduction of MA in the solid reaction atmosphere of AFc in one hand reduces the activation energy required by AFc to undergo thermal decomposition and the reaction rate, while on the other hand varies the nature of reaction mechanism involved. Results: The range of reaction rate values estimated for the mixtures indicate that the activated complexes during Step-I of thermal decomposition may be treated as ‘loose’ complex whereas ‘tight’ complex for the Step-II. From the estimated entropy values, thermal process of (AFc1-x-MAx) mixture for Steps I and II may be interpreted as ‘‘slow’’ stage. Conclusion: Variation of Gibb’s free energy with the fraction of maliec anhydride in the mixtures for Step-I and II indicate that the thermal processes of changing the corresponding activated complexes are non-spontaneous at room temperature.

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