chemical equilibrium modeling
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Molecules ◽  
2020 ◽  
Vol 25 (5) ◽  
pp. 1069 ◽  
Author(s):  
Katarzyna Karaś ◽  
Anetta Zioła-Frankowska ◽  
Marcin Frankowski

Aluminum is very common in the natural environment and in everyday human life. We are living in the “aluminum age.” Its average daily intake should not exceed a few mg/day. Unfortunately, despite the growing number of alarming data about the toxicity of this element, human exposure to aluminum is constantly increasing. The toxicity and bioavailability of aluminum depends mainly on the form in which it occurs. The main variables conditioning the form are the concentration, the type, the molar ratio of aluminum to ligand, the pH value, and the temperature. This research presents a new method for speciation analysis of both inorganic and organic aluminum complexes in model solutions by LC–ICP–MS. Different solutions with variable pH values and different Al/ligand molar ratios (fluorides and several organic ligands, e.g., citrates and oxalates ions) were used. The chromatographic separation process was carried out based on isocratic and gradient elution, using a cation exchange analytical column. All determinations have been confirmed based on chemical equilibrium modeling programs. The new developed method was successfully applied for the first time in speciation analysis of real samples: white and red wine.


2020 ◽  
Vol 161 ◽  
pp. 01081
Author(s):  
Alexey Demin ◽  
Roza Dyganova ◽  
Nail Fakhreev

Here, we present the results of numerical studies of biomass gasification using poultry litter, sewage sludge and wood waste (pine shavings) as examples of starting materials. The aim of the study was to find ways to increase the degree of biomass conversion to combustible gaseous products (CO, H2, CnHm) and to achieve high calorific value of the generated synthesis gas. Modeling biomass gasification was performed for a multicomponent reacting system in a state of thermodynamic and chemical equilibrium. The mathematical model and the calculation program created by the authors were used. The presence of a condensed phase in the form of fine particles of solid carbon and ash in biomass gasification products was taken into account. The optimal levels of gasification temperatures and conditions that help minimizing the concentration of solid carbon particles in gasification products were determined. For optimal biomass gasification, we recommend using the thermal energy obtained from burning part of the generated syngas.


Fuel ◽  
2018 ◽  
Vol 220 ◽  
pp. 744-753 ◽  
Author(s):  
Paola Brachi ◽  
Riccardo Chirone ◽  
Francesco Miccio ◽  
Michele Miccio ◽  
Giovanna Ruoppolo

RSC Advances ◽  
2016 ◽  
Vol 6 (111) ◽  
pp. 110235-110246 ◽  
Author(s):  
Praveen Kumar ◽  
Patrick With ◽  
Vimal Chandra Srivastava ◽  
Kartikeya Shukla ◽  
Roger Gläser ◽  
...  

In this paper, a series of CexZr1−xO2 solid solution spheres were synthesized by exo- and endo-templating methods and tested for dimethyl carbonate (DMC) synthesis using direct conversion of CO2.


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