Measuring and modeling alcohol/salt systems

Held, Christoph; Prinz, Axel; Wallmeyer, Viktoria; Sadowski, Gabriele

doi:10.1016/j.ces.2011.09.040

Cited by 70 publications

(61 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On the other hand, it is less accurate than the ePC-SAFT EOS when calculating osmotic coefficient. A major advantage of the present work, compared to the work of Held et al (2012), is the correlation of vapor pressures, whose results are very accurate.…”

Section: Brazilian Journal Of Chemical Engineeringmentioning

confidence: 73%

“…The performance of Q-electrolattice EOS is compared to the work of Held et al (2012), in which the ePC-SAFT EOS was used to correlate thermodynamic properties of some similar salts in methanol and ethanol solutions. In general, both EOSs present thermodynamic property deviations of similar magnitude in comparison to experimental data.…”

Section: Brazilian Journal Of Chemical Engineeringmentioning

confidence: 99%

“…Regardless of this observation, our experience with the Q-electrolattice EOS is that fitting the ion diameters is important to the overall model accuracy. (Gmehling, 2012); b (Pasztor and Criss, 1978;Held et al, 2012); Np is the number of experimental points; mmax is the maximum molality. All the calculations presented in this table for mean ionic activity coefficient (MIAC), density, and osmotic coefficient (OC) have been performed at 298.15 K. Table 5 shows that the Q-electrolattice EOS is able to correlate vapor pressures satisfactorily in both methanol and ethanol solutions, with most deviations below 3.0%.…”

Section: Single Salt Nonaqueous Solutionsmentioning

confidence: 99%

“…Zuo and Fürst (1997) applied an EOS constituted of four terms (one repulsive term, two attractive shortrange terms, and one long-range term) to correlate vapor pressures and mean ionic activity coefficients of single salts in methanol, ethanol, 2-propanol, and acetonitrile solutions. Held et al (2012) employed the ePC-SAFT EOS in order to correlate liquid densities, osmotic coefficients, and mean ionic activity coefficients at 298.15 K of single salts in methanol and ethanol solutions, presenting also new experimental data for many electrolyte systems.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

Zuber

Checoni

Castier

2015

Braz. J. Chem. Eng.

View full text Add to dashboard Cite

-The correlation of thermodynamic properties of nonaqueous electrolyte solutions is relevant to design and operation of many chemical processes, as in fertilizer production and the pharmaceutical industry. In this work, the Q-electrolattice equation of state (EOS) is used to model vapor pressure, mean ionic activity coefficient, osmotic coefficient, and liquid density of sixteen methanol and ten ethanol solutions containing single strong 1:1 and 2:1 salts. The Q-electrolattice comprises the lattice-based Mattedi-Tavares-Castier (MTC) EOS, the Born term and the explicit MSA term. The model requires two adjustable parameters per ion, namely the ionic diameter and the solvent-ion interaction energy. Predictions of osmotic coefficient at 298.15 K and liquid density at different temperatures are also presented.

show abstract

Section: Brazilian Journal Of Chemical Engineeringmentioning

confidence: 73%

Section: Brazilian Journal Of Chemical Engineeringmentioning

confidence: 99%

Section: Single Salt Nonaqueous Solutionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

Zuber

Checoni

Castier

2015

Braz. J. Chem. Eng.

View full text Add to dashboard Cite

show abstract

“…It is important to highlight that either in the dispersive or association interactions only energy-related binary parameters were applied in this work since the use of size-related binary parameters is unusual and not recommended [37].…”

Section: Pc-saft Eosmentioning

confidence: 99%

Measurement and PC-SAFT modeling of solid-liquid equilibrium of deep eutectic solvents of quaternary ammonium chlorides and carboxylic acids

Pontes

Crespo

Martins

et al. 2017

Fluid Phase Equilibria

Self Cite

110

View full text Add to dashboard Cite

a b s t r a c tIn this study the solid-liquid equilibria (SLE) of 15 binary mixtures composed of one of three different symmetrical quaternary ammonium chlorides and one of five different fatty acids were measured. The experimental data obtained showed extreme negative deviations to ideality causing large meltingtemperature depressions (up to 300 K) that are characteristic for deep eutectic systems. The experimental data revealed that cross-interactions between quaternary ammonium salt and fatty acid increase with increasing alkyl chain length of the quaternary ammonium chloride and with increasing chain length of the carboxylic acid. The pronounced decrease of melting temperatures in these deep eutectic systems is mainly caused by strong hydrogen-bonding interactions, and thermodynamic modeling required an approach that takes hydrogen bonding into account. Thus, the measured phase diagrams were modeled with perturbed-chain statistical associating fluid theory based on the classical molecular homonuclear approach. The model showed very good agreement with the experimental data using a semi-predictive modeling approach, in which binary interaction parameters between quaternary ammonium chloride and carboxylic acid correlated with chain length of the components. This supports the experimental findings on the phase behavior and interactions present in these systems and it allows estimating eutectic points of such highly non-ideal mixtures.

show abstract

Flexible Supercapacitor Based on Organohydrogel Electrolyte with Long‐Term Anti‐Freezing and Anti‐Drying Property

Lou

Wang

et al. 2020

Adv Funct Materials

187

View full text Add to dashboard Cite

Hydrogel electrolytes have spurred the development of flexible energy storage devices by endowing them with liquid-like ion transport and solidlike mechanical elasticity. However, traditional hydrogel electrolytes always lose these functions in climate change because the internal water undergoes freezing and/or dehydration. In this work, a flexible supercapacitor (OHEC) is assembled based on the organohydrogel electrolyte (OHE) and activated carbon electrode material. The OHE is composed of PAMPS/PAAm doublenetwork hydrogel soaked from 4 m LiCl/ethylene glycol and exhibits good conductivities (1.9 and 22.9 mS cm −1 at −20 and 25 °C, respectively). The OHEC exhibits broad temperature adaptability (from −20 to 80 °C) and extraordinary resistance to mechanical damage (above 100 kg crushing). The OHEC avoids the polarization at low temperatures and retains 77.8% capacitance retention after storage at −20 °C for 30 days. Without extra sealed packaging, the OHEC maintains remarkable cycling stability (only 8.7% capacitance decay after 10 000 cycles) and retains 77.3% capacitance at 80 °C after 56 h. The outstanding anti-drying performance and improved interfacial compatibility of OHEC account for the good durability in the hightemperature environments. Additionally, other salts (such as LiClO 4 , NaCl, and KCl) with favorable solubility in ethylene glycol can also serve in OHEs for wide temperature range supercapacitors.

show abstract

Measuring and modeling alcohol/salt systems

Cited by 70 publications

References 47 publications

Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

Measurement and PC-SAFT modeling of solid-liquid equilibrium of deep eutectic solvents of quaternary ammonium chlorides and carboxylic acids

Flexible Supercapacitor Based on Organohydrogel Electrolyte with Long‐Term Anti‐Freezing and Anti‐Drying Property

Contact Info

Product

Resources

About