The role of urea in the solubility of cellulose in aqueous quaternary ammonium hydroxide

Walters, Mikayla G.; Mando, Albaraa D.; Reichert, W. Matthew; West, Christy W.; West, Kevin N.; Rabideau, Brooks D.

doi:10.1039/c9ra07989k

Cited by 9 publications

(7 citation statements)

References 77 publications

(71 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The high number of hydrogen bonds in simulation suggests that there were more interactions between molecules as well as the higher tendency to attract between the substances. Thus, the number of hydrogen bonds created between the urea and the adsorbent is an indicator of the urea adsorption efficiency. − Under proper conditions, the amine functional group can form hydrogen bonds via the hydrogen attached to the amine group.…”

Section: Results and Discussionmentioning

confidence: 99%

Optimization of the Urea Removal in a Wearable Dialysis Device Using Nitrogen-Doped and Phosphorus-Doped Graphene

Karimi

Rahsepar

2022

ACS Omega

View full text Add to dashboard Cite

Dialysis has been recognized as an essential treatment for end-stage renal disease (ESRD). This therapy, however, suffers from several limitations leading to numerous complications in the patients. As dialysis cannot completely substitute healthy kidney functions, the health condition of an ESRD patient is ultimately affected. Wearable artificial kidney (WAK) can resolve the restrictions of blood purification by the dialysis method. However, absorbing large amounts of urea produced in the body is one of the main challenges of these WAK and overcoming this is necessary to improve both functionality and footprint of the device. This study investigates the adsorption capabilities of N- and P-doped graphene nanosorbents for the first time by using molecular dynamic simulation. Urea removal on carbon nanosheets was simulated with different percentages of phosphorus and nitrogen dopants along with the pristine graphene. Specifically, the effects of interaction energy, adsorption percentage, gyration radius, hydrogen bonding, and other molecular dynamic analyses on urea removal were also investigated. The results from this study match well with the existing research, demonstrating the accuracy of the model. The results further suggest that graphene nanosheets doped by 10% nitrogen are likely the most effective in removing urea given that it is associated with the maximum radial distribution function (RDF), the maximum reduction in gyration radius, a high number of hydrogen bonds, and the most negative adsorption energy. This molecular study offers attractive suggestions for the novel adsorbents of artificial kidney devices and paves the way for the development of novel and enhanced urea adsorbents.

show abstract

Section: Results and Discussionmentioning

confidence: 99%

Optimization of the Urea Removal in a Wearable Dialysis Device Using Nitrogen-Doped and Phosphorus-Doped Graphene

Karimi

Rahsepar

2022

ACS Omega

View full text Add to dashboard Cite

show abstract

“…Cellulose dissolution due to hydrotropic pretreatment is also reported, as well as dissolution of cellulose in the presence of urea in the alkaline system. , Hydrotropic pretreatment was reported to be able to remove up to 50% of the substrate lignin of willow and corn stover at the application of p -TsOH at temperatures as low as 50 °C. p -TsOH treatment performed at temperature 50 °C also dissolved >10% of the cellulose .…”

Section: Resultsmentioning

confidence: 99%

Microwave-Assisted Urea-Based-Hydrotropic Pretreatment of Rice Straw: Experimental Data and Mechanistic Kinetic Models

et al. 2021

View full text Add to dashboard Cite

The three major lignocellulose components can be transformed into various biomass-derived platform fuels, chemicals, and materials upon pretreatment and chemical upgrading. Lignocellulose pretreatment is an important step to obtain an eco-friendly, economical, and effective biomass utilization process. The combination of microwave heating and hydrotropic pretreatment is considered as a green method of lignocellulose pretreatment. Experimental data and two mechanistic kinetic models of microwave-assisted pretreatment of rice straw are presented. Here, the use of urea solution as the hydrotropic agent was examined to facilitate the degradation of three major lignocellulose components. The first kinetic model assumes that the soluble lignin does not undergo condensation, while the second one assumes that part of the soluble lignin condenses to a solid product. The mechanistic models were validated with a series of experimental data obtained from microwave-assisted hydrotropic pretreatment of rice straw. The results show that both models could generally describe the experimental data well. However, based on the evaluation of the results of the kinetic models, it turned out that the rate of lignin condensation was relatively slow compared to the rate of lignin degradation to soluble lignin (the value of k c is relatively small compared to the value of k l1 ). Hence, the kinetic model with exclusion of lignin condensation is suggested more since it is mathematically simpler. The proposed mechanistic model can also predict the cellulose and hemicellulose dissolution and thereby can be used as a process optimization tool. The microwave-assisted urea-based hydrotropic pretreatment conducted at a solid−liquid ratio of 1:35, a urea concentration of 36.8%, a reaction temperature of 90 °C, and a pretreatment duration of 73.6 min is predicted to give a solid residue with low lignin content and high cellulose content which resulted in a cellulose to lignin ratio of 5.53. Cellulosic biomass characterization revealed that microwave-assisted hydrotropic pretreatment was able to produce higher crystallinity and thermally stable cellulosic biomass.

show abstract

“…117,118 Therefore, a suitable solvent system capable of solubilizing cellulose effectively should possess H-bond rupture properties and exceptionally high ionic strength, where urea is one of the most well-known chemical molecules used to break H-bonds. 119 For this purpose, the ability of novel solvent systems consisting of BTEAB-urea (1 : 2) DES to dissolve cellulose has been investigated in this section. Thus, for the BTEABbased DES freshly prepared in a flask placed in an oil bath, under stirring and heating at 60-70 1C (clear and transparent in nature), desired amounts of cellulose were added, and the solubility was estimated in 15 min after each cellulose addition.…”

Section: Cellulose Dissolution In the Btab/urea Des: Experimental Inv...mentioning

confidence: 99%

Dissolution mechanism of cellulose in a benzyltriethylammonium/urea deep eutectic solvent (DES): DFT-quantum modeling, molecular dynamics and experimental investigation

Azougagh,

Jilal,

Jabir

et al. 2023

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

The role of urea in the solubility of cellulose in aqueous quaternary ammonium hydroxide

Abstract: We examine the role of water and urea in cellulose solubility in tetrabutylammonium hydroxide (TBAH).

Cited by 9 publications

References 77 publications

Optimization of the Urea Removal in a Wearable Dialysis Device Using Nitrogen-Doped and Phosphorus-Doped Graphene

Optimization of the Urea Removal in a Wearable Dialysis Device Using Nitrogen-Doped and Phosphorus-Doped Graphene

Microwave-Assisted Urea-Based-Hydrotropic Pretreatment of Rice Straw: Experimental Data and Mechanistic Kinetic Models

Dissolution mechanism of cellulose in a benzyltriethylammonium/urea deep eutectic solvent (DES): DFT-quantum modeling, molecular dynamics and experimental investigation

Contact Info

Product

Resources

About