Solubility of Carbon Dioxide (CO2) in Aqueous Solution of 3-(Dimethylamino)-1-Propylamine (DMAPA)

2019 ◽  
Author(s):  
Devjyoti Nath ◽  
Amr Henni
2021 ◽  
Author(s):  
Mohd Fakrumie Zaidin ◽  
Alain Valtz ◽  
Christophe Coquelet ◽  
Antonin Chapoy

Abstract New vapour liquid equilibrium (VLE) data for carbon dioxide (CO2) and hydrogen sulphide (H2S) mixture in deionized water and NaCl aqueous solution are generated at temperature range from 373.15 to 423.15 K and pressure up to 25.0 MPa. A static-analytic type method, taking advantage of two magnetic capillary samplers for phase sampling is used for this VLE measurements. The VLE data generated in this work are compared against literature data, Duan model and the simplified cubic plus association (CPA-SRK72) Equation of State (EoS) model predictions. From the results, it is demonstrated that the CPA-SRK72 EoS model is able to predict the phase behaviour of CO2 and H2S in water and NaCl aqueous solutions with low absolute average deviation (AAD) against the measured experimental data.


Author(s):  
Eitaro Matsuoka ◽  
Satoshi Muto ◽  
Hirofumi Daiguji

Hollow microcapsules made of biodegradable polymers have attracted considerable attention for ultrasound contrast agents and drug delivery system. In normal fabrication techniques, stable microbubbles are formed in a surfactant solution via ultrasound, then polyelectrolyte are adsorbed on the microbubble surface, resulting in hollow microcapsules. This document proposes a new method. First, a poly-allylamine hydrochloride (PAH) polyelectrolyte aqueous solution was adjusted at pH = 12.0. Carbon dioxide (CO2) was dissolved at 300 kPa (gage) in the polyelectrolyte solution. The pH of the solution decreased with increasing dissolved CO2, and the solution became turbid at pH = 9. The solution was then degassed at 1 atm, yielding microbubbles. The polyelectrolyte was then adsorbed on the microbubble surface and became the microcapsule shell. Very smooth spherical particulates were responsible of this. These particles were microbubbles and not aggregation of polyelectrolyte molecules; however, the particles did not coalesce, nor diffused into the solution, and were more stable compared to bubbles. Fluorescent analysis revealed that these particles were polyelectrolyte adsorbed to the bubble surface. This method was successfully used to fabricate hollow PAH polyelectrolyte microcapsules from microbubble templates without surfactants.


2021 ◽  
Author(s):  
Zishuai Zhang ◽  
Eric W. Lees ◽  
Shaoxuan Ren ◽  
Aoxue Huang ◽  
Curtis P. Berlinguette

Electrolyzers that reduce carbon dioxide (CO2) into chemicals and fuels often use high-purity gaseous CO2 feedstocks that need to be isolated from upstream carbon capture units. If CO2 were to be captured directly from air, the eluent is likely to be an aqueous solution rich in bicarbonate ions (HCO3-). This scenario provides the impetus to electrolytically reduce these bicarbonate-rich carbon capture solutions into the same products as a CO2 electrolyzer. We report here an electrolyzer configuration that couples the conversion of bicarbonate to CO at the cathode with hydrogen oxidation at an anode. This unique system is capable of reaching a commercially-relevant current density of 500 mA cm-2 at merely 2.2 V, which is >0.5 V more efficient than any other reported electrolyzer that reduces HCO3- or CO2 at these current densities.


2021 ◽  
Author(s):  
Zishuai Zhang ◽  
Eric W. Lees ◽  
Shaoxuan Ren ◽  
Aoxue Huang ◽  
Curtis P. Berlinguette

Electrolyzers that reduce carbon dioxide (CO2) into chemicals and fuels often use high-purity gaseous CO2 feedstocks that need to be isolated from upstream carbon capture units. If CO2 were to be captured directly from air, the eluent is likely to be an aqueous solution rich in bicarbonate ions (HCO3-). This scenario provides the impetus to electrolytically reduce these bicarbonate-rich carbon capture solutions into the same products as a CO2 electrolyzer. We report here an electrolyzer configuration that couples the conversion of bicarbonate to CO at the cathode with hydrogen oxidation at an anode. This unique system is capable of reaching a commercially-relevant current density of 500 mA cm-2 at merely 2.2 V, which is >0.5 V more efficient than any other reported electrolyzer that reduces HCO3- or CO2 at these current densities.


2019 ◽  
Author(s):  
Javier Oller ◽  
David A. Sáez ◽  
Esteban Vöhringer-Martinez

<div><div><div><p>Local reactivity descriptors such as atom condensed Fukui functions are promising computational tools to study chemical reactivity at specific sites within a molecule. Their applications have been mainly focused on isolated molecules in their most stable conformation without considering the effects of the surroundings. Here, we propose to combine QM/MM Born-Oppenheimer molecular dynamics simulations to obtain the microstates (configurations) of a molecular system using different representations of the molecular environment and calculate Boltzmann weighted atom condensed local reac- tivity descriptors based on conceptual DFT. Our approach takes the conformational fluctuations of the molecular system and the polarization of its electron density by the environment into account allowing us to analyze the effect of changes in the molecular environment on reactivity. In this contribution, we apply the method mentioned above to the catalytic fixation of carbon dioxide by crotonyl-CoA carboxylase/reductase and study if the enzyme alters the reactivity of its substrate compared to an aqueous solution. Our main result is that the protein en- vironment activates the substrate by the elimination of solute-solvent hydrogen bonds from aqueous solution in the two elementary steps of the reaction mechanism: the nucleophilic attack of a hydride anion from NADPH on the α, β unsaturated thioester and the electrophilic attack of carbon dioxide on the formed enolate species.</p></div></div></div>


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