Vapor‐liquid and chemical equilibria of formaldehyde‐water mixtures

Albert, Michael H.; Coto, Baudilío; Kreiter, Cornelius G.; Maurer, Gerd

doi:10.1002/aic.690450919

Cited by 56 publications

(128 citation statements)

References 7 publications

(9 reference statements)

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“…His proposed vapor-liquid equilibrium was revised and modified for wider range of temperatures in his further works (Hasse et al 1990, Hasse and Maurer 1991, Albert et al 1996, Kuhnert et al 2006). He and his colleagues also considered the kinetics of formaldehyde polymer formation in water in their research (Albert et al 1999). Based on the result of Table 4 Model validation for methanol ballast process simulation (Turton et al 2009 …”

Section: Simulation Resultsmentioning

confidence: 98%

Critical review and exergy analysis of formaldehyde production processes

Bahmanpour

Hoadley

Tanksale

2014

Reviews in Chemical Engineering

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AbstractFormaldehyde is one of the most important intermediate chemicals and has been produced industrially since 1889. Formaldehyde is a key feedstock in several industries like resins, polymers, adhesives, and paints, making it one of the most valuable chemicals in the world. However, not many studies have been dedicated to reviewing the production of this economically important product. In this review paper, we study the leading commercial processes for formaldehyde production and compare them with recent advancements in catalysis and novel processes. This paper compares, in extensive detail, the reaction mechanisms and kinetics of water ballast process (or BASF process), methanol ballast process, and Formox process. The thermodynamics of the reactions involved in the formaldehyde production process was investigated using HSC Chemistry™ software (Outotec Oyj, Espoo, Finland). Exergy analysis was carried out for the natural gas to methanol process and the methanol ballast process for formaldehyde production. The former process was simulated using Aspen HYSYS™ and the latter using Aspen Plus™ software (Aspen technology, Burlington, MA, USA). The yield and product specifications from the simulation results closely matched with published experimental data. The exergy efficiencies of the natural gas to synthesis gas

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Section: Simulation Resultsmentioning

confidence: 98%

Critical review and exergy analysis of formaldehyde production processes

Bahmanpour

Hoadley

Tanksale

2014

Reviews in Chemical Engineering

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“…The activity coefficients were calculated by using either the UNIQUAC model with binary interaction parameters identified in this work (chemUNIQUAC model) or the UNIFAC Original model (chemUNIFAC model). The results were compared to experimental data taken from the literature for the formaldehyde-water system [17], formaldehyde-methanol system [23], and formaldehyde-water-methanol system [18].…”

Section: Comparison With Literature Datamentioning

confidence: 99%

“…Table 10 Average deviation in liquid-phase of the polymer distribution for the water-formaldehyde system using chemUNIQUAC model and chemUNIFAC model (2/2). Table 8 compares the average overall deviation of the gasphase composition and average deviation of the pressure for the water-formaldehyde system between experimental data from the literature [17] and the two models (chemUNIQUAC and chemUNIFAC). Furthermore, the average deviation of the polymer distribution in liquid-phase, between experimental data [17] and the two models (chemUNIQUAC and chemUNIFAC), were calculated using Eq.…”

Section: Water-methanol Systemmentioning

confidence: 99%

See 1 more Smart Citation

Phase equilibria of aqueous solutions of formaldehyde and methanol: Improved approach using UNIQUAC coupled to chemical equilibria

Detcheberry

Destrac

Meyer

et al. 2015

Fluid Phase Equilibria

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This is an author's version published in: http://oatao.univ-toulouse.fr/20334 a b s t r a c tThe study of the phase equilibria involving formaldehyde is still relevant because of its presence in new processes where biomass is the raw material. The coupling between physical phase equilibria and chemical reactions makes its thermodynamic description a challenging task. In this work, an improved approach using UNIQUAC coupled to chemical equilibria was developed and compared with experimental data from the literature. The first application was done for the phase equilibria of the formaldehyde-water system and distribution of oligomers in the liquid phase was computed. The second and the third applications respectively considered the phase equilibria of the formaldehyde-methanol system and the formaldehyde-water-methanol system.

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“…We take chemical equilibrium constants , and vapor pressure from literatures [6], see Table I, Table II We use NMR data [20], [21] and COSMO-RS method to determine the chemical equilibrium constants ≥ 2 [10]. The activity coefficient is derived from the chemical potential μ , which is calculated through non-linear equations in the COSMOtherm implementation (Eq.…”

Section: A Thermodynamic Predicted Modelmentioning

confidence: 99%

Prediction of the Vapor–Liquid Equilibrium of Formaldehyde–Water–Trioxane Ternary System by the Conductor-Like Screening Model for Real Solvents

Liu¹,

Bai²,

Liu³

et al. 2017

IJCEA

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Abstract-In this study, a thermodynamic model was combined with the conductor-like screening model for real solvents (COSMO-RS), coupled with chemical reaction equilibrium and mass balance, for describing the phase behavior and complex chemical equilibrium in the ternary system of formaldehyde-water-trioxane at temperatures between 413 K. New approach for the prediction of vapor-liquid equilibrium of the binary system (TOX + W) and the ternary system (FA+W+TOX) is compared with experimental data and UNIFAC method. The calculated vapor-liquid equilibrium (VLE) result shows good agreement with the experimental data. The COSMO-RS model has proven to be an accurate and effective method for predicting the activity coefficient, and also more reasonable for predicting the thermodynamic properties of formaldehyde-watermethanol reactive fluids.Index Terms-COSMO-RS, modeling, phase equilibrium, formaldehyde aqueous solution, trioxane.

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Vapor‐liquid and chemical equilibria of formaldehyde‐water mixtures

Cited by 56 publications

References 7 publications

Critical review and exergy analysis of formaldehyde production processes

Critical review and exergy analysis of formaldehyde production processes

Phase equilibria of aqueous solutions of formaldehyde and methanol: Improved approach using UNIQUAC coupled to chemical equilibria

Prediction of the Vapor–Liquid Equilibrium of Formaldehyde–Water–Trioxane Ternary System by the Conductor-Like Screening Model for Real Solvents

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