reaction equilibrium
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2021 ◽  
Author(s):  
Narmin Noorani ◽  
Abbas Mehrdad

Abstract In this study, seven amino acid-based poly(ionic liquid)s (AAPILs) such as poly(1-butyl-3-vinylimidazolium glycinate), P[VBIm][Gly], poly (1-butyl-3-vinylimidazolium alaninate), P[VBIm][Ala], poly(1-butyl-3-vinylimidazolium valinate), P[VBIm][Val], poly(1-butyl-3-vinylimidazolium prolinate) P[VBIm][Pro], poly(1-butyl-3-vinylimidazolium hisdinate), P[VBIm][His], poly(1-butyl-3-vinylimidazolium lysinate), P[VBIm][Lys], and poly(1-butyl-3-vinylimidazolium arginate), P[VBIm][Arg] have been synthesized, characterized, and their CO2 absorption capacities were investigated using quartz crystal microbalance (QCM) at temperature range 288.15–308.15 and pressures up to 5 bar. Based on the absorption mechanism, the reaction equilibrium thermodynamic model is applied to correlating the experimental CO2 absorption capacities. The reaction equilibrium constant and Henry’s law constant were calculated to evaluate the efficiency of the AAPILs for CO2 absorption. In the investigated AAPILs, the CO2 absorption capacity was as follows: P[VBIm][Arg] > P[VBIm][Lys] > P[VBIm][His] > P[VBIm][Pro] > P[VBIm][Gly] > P[VBIm][Val] > P[VBIm][Ala]. The accessibility of available more amine groups in AAPIL with arginate anion is the main factor for the high CO2 absorption capacity. Also, chemical absorption of CO2 via carbamate formation was corroborated by FT-IR spectroscopy.


2021 ◽  
Author(s):  
Wojciech Rejmer

Abstract: The aim of these research is to investigate the air content on aging of poly(ethylene terephthalate) (PET) preforms. Three air pressures were selected and in each pressure 5 samples were aged during 21 days in 80oC. Three samples were selected to cut and measure their density with the use of hydrostatic method. Sample mass, Young modulus and surface roughness were measured for each sample before and after aging and differences between those parameters were presented as results. The changes of parameters may lead to a conclusion that mechanism of polymeric chain oxidation is dominant during thermal aging of PET. However the aging is not the fastest in atmospheric pressure but in lower air contents. This effect may be caused by greater evaporation of small molecule degradation products and shifting of reaction equilibrium in the direction of further decomposition.


Fuel ◽  
2021 ◽  
Vol 302 ◽  
pp. 121146
Author(s):  
Yusheng Zhang ◽  
Yali Yao ◽  
Jianqi Shen ◽  
Jianli Chang ◽  
Joshua Gorimbo ◽  
...  

Processes ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 652
Author(s):  
Huanong Cheng ◽  
Na Li ◽  
Rui Zhang ◽  
Ning Wang ◽  
Yuanyuan Yang ◽  
...  

The solubility of hydrogen sulfide in different mole ratios of ferric chloride and 1-butyl-3-methylimidazolium chloride ionic liquid (rFeCl3/[bmim]Cl, r = 0.6, 0.8, 1.0, 1.2, 1.4) at temperatures of 303.15 to 348.15 K and pressures of 100 to 1000 kPa was determined. The total solubility increased with the increase of pressure and the decrease of temperature. The solubility data were fitted using the reaction equilibrium thermodynamic model (RETM). The mean relative error between the predicted value and the measured value was less than 4%. Henry’s coefficient and the equilibrium constant of chemical reaction at each temperature were calculated. Henry’s coefficient first decreased and then increased with the increase of mole ratio, and increased with the increase of temperature. The equilibrium constant of the chemical reaction followed the same law as Henry’s coefficient. The chemical solubility was related to both Henry’s coefficient and the chemical equilibrium constant. H2S had the highest chemical solubility in FeCl3/[bmim]Cl at a mole ratio of 0.6 and a temperature of 333.15 K. The chemical solubility increased with the increase of pressure.


2021 ◽  
Author(s):  
Farid Taherkhani

Abstract Kinetics Monte Carlo simulation has been done for solving Master equation for intracellular viral reaction kinetics. There is scaling relationship between reaction equilibrium time and initial population of template species in intracellular viral reaction kinetics. Kinetics Monte Carlo result shows that mathematical presentation between initial population of template species and reaction equilibrium time is f eq time (N) = aNb (a = 163.1, b = -0.1429 ), where N , feq time(N) are initial population of template species and reaction equilibrium time respectively. Kinetics Monte Carlo shows that increasing initial population of template species decreases the reaction equilibrium time. Initial population for template species with range 1 ≤Temp ≤ 4; Temp=5; 6 ≤Temp ≤10 are called low, medium and high infection level in intracellular viral kinetics reaction respectively. Entropy generation has been considered in low, intermediate and high infection level of intracellular viral reaction kinetics in during dynamical population. Permutation, multiscaling and modified multiscaling entropies have been calculated for species, genome, structural protein, and template species. Dependency of permutation entropy on permutation order is small in high infection level. At short time scale, convergency of permutation entropy occurs with medium permutation order value. In the big time scale, permutation entropy H(n) scales with permutation order n as a scaling relation H (n )=nα (α =0.30) . Three different trends for low, medium and high infection level observed for multiscaling entropy of template species versus scaling factor. Nonmonotonic behavior for permutation entropy versus time could be observed for structural protein species.


2021 ◽  
Vol 230 ◽  
pp. 116227
Author(s):  
Aman Gupta ◽  
Paul D. Armatis ◽  
Piyush Sabharwall ◽  
Brian M. Fronk ◽  
Vivek Utgikar

2021 ◽  
Author(s):  
Nathan Nesbitt ◽  
Wilson Smith

<p>Electrochemical CO<sub>2</sub> reduction has recently reached current densities as high as 1 A cm<sup>-2</sup>, enabled by improving diffusion of CO<sub>2</sub> from the gas phase to the electrocatalyst by use of gas-diffusion electrodes (GDEs) and by improving electrolyte ionic conductivity with concentrated hydroxide electrolytes (7 M KOH). Despite such high solute concentrations, the dilute electrolyte assumption is commonly used to evaluate the thermodynamics of the system, specifically reaction equilibrium potential and reaction rate expression. Here we establish a paradigm shift by demonstrating how to properly include the activity of water and solutes and highlighting corrections to associated reaction thermodynamics.</p>


2021 ◽  
Author(s):  
Nathan Nesbitt ◽  
Wilson Smith

<p>Electrochemical CO<sub>2</sub> reduction has recently reached current densities as high as 1 A cm<sup>-2</sup>, enabled by improving diffusion of CO<sub>2</sub> from the gas phase to the electrocatalyst by use of gas-diffusion electrodes (GDEs) and by improving electrolyte ionic conductivity with concentrated hydroxide electrolytes (7 M KOH). Despite such high solute concentrations, the dilute electrolyte assumption is commonly used to evaluate the thermodynamics of the system, specifically reaction equilibrium potential and reaction rate expression. Here we establish a paradigm shift by demonstrating how to properly include the activity of water and solutes and highlighting corrections to associated reaction thermodynamics.</p>


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