Simulation of Syngas Production from Lignin Using Guaiacol as a Model Compound

Rodríguez-Olalde, Nancy Eloísa; Mendoza-Chávez, Erick Alejandro; Castro‐Montoya, Agustín Jaime; Saucedo-Luna, Jaime; Maya-Yescas, Rafael; Rutiaga-Quiñones, José Guadalupe; Ortega, José María Ponce

doi:10.3390/en8076705

Cited by 18 publications

(7 citation statements)

References 30 publications

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“…The operating pressure and temperature are specified. The RGIBBS reactor-model determines the outlet composition for the present conditions based on minimization of Free Gibbs Energy, which is in good agreement with the procedure used by Rodríguez-Olalde, et al [24]: The Gibbs energy G of a system of N species i is defined as the sum of each species' chemical potential weighted with its molar amount n i (cf. (7)).…”

Section: Methodsmentioning

confidence: 60%

(Solar) Mixed Reforming of Methane: Potential and Limits in Utilizing CO2 as Feedstock for Syngas Production—A Thermodynamic Analysis

2018

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The reforming of natural gas with steam and CO2 is commonly referred to as mixed reforming and considered a promising route to utilize CO2 in the production of synthetic fuels and base chemicals such as methanol. In the present study, the mixed reforming reaction is assessed regarding its potential to effectively utilize CO2 in such processes based on simple thermodynamic models. Requirements for the mixed reforming reactions based on process considerations are defined. These are the avoidance of carbon formation in the reactor, high conversion of the valuable inlet streams CH4 and CO2 as well as a suitable syngas composition for subsequent synthesis. The syngas composition is evaluated based on the module M = ( z H 2 − z CO 2 ) / ( z CO 2 + z CO ) , which should assume a value close to 2. A large number of different configurations regarding CO2/H2O/CH4 at the reactor inlet, operating pressure and outlet temperature are simulated and evaluated according to the defined requirements. The results show that the actual potential of the mixed reforming reaction to utilize CO2 as feedstock for fuels and methanol is limited to approximately 0.35 CO2/CH4, which is significantly lower than suggested in literature. At 900 °C and 7 bar at the reactor outlet, which is seen suitable for solar reforming, a ratio of H2O/CH4 of 1.4 can be set and the resulting value of M is 1.92 (CO2/CO/H2 = 0.07/0.4/1).

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Section: Methodsmentioning

confidence: 60%

(Solar) Mixed Reforming of Methane: Potential and Limits in Utilizing CO2 as Feedstock for Syngas Production—A Thermodynamic Analysis

2018

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“…Thus, it has posed an unpredictable and far-reaching threat to the global atmosphere [4] and climate change as well as human health [5]. Lignin is an ample constituent in biomass [6,7] that can be switched to commercially viable products through pyrolysis, such as biofuels and phenolic chemicals [8,9,10,11]. In recent years, lignin pyrolysis has stolen the spotlight from public.…”

Section: Introductionmentioning

confidence: 99%

Mechanistic and Kinetic Investigations on the Ozonolysis of Biomass Burning Products: Guaiacol, Syringol and Creosol

Chen

Sun

et al. 2019

IJMS

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The lignin pyrolysis products generated by biomass combustion make an essential contribution to the formation of secondary organic aerosols (SOAs). The ozone-initiated oxidation of guaiacol, syringol and creosol, major constituents of biomass burning, were investigated theoretically by using the density functional theory (DFT) method at the MPWB1K/6-311+G(3df,2p)//MPWB1K/6-31+G(d,p) level. Six primary addition reaction pathways and further decomposition routes with corresponding thermodynamic values were proposed. The Criegee intermediates can be excited by small molecules, such as NOx, H2O in the atmosphere, and would further proceed via self-decomposition or isomerization. The most predominant product for ozonation of guaiacol is the monomethyl muconate (P1). At 295 K and atmospheric pressure, the rate constant is 1.10 × 10−19 cm3 molecule−1 s−1, which is lies a factor of 4 smaller than the previous experimental study. The branching ratios of the six channels are calculated based on corresponding rate coefficient. The present work mainly provides a more comprehensive and detailed theoretical research on the ozonation of methoxyphenol, which aspires to offer novel insights and reference for future experimental and theoretical work and control techniques of SOAs caused by lignin pyrolysis products.

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“…Equilibrium models can be categorized into stoichiometric models based on equilibrium constants of the most important reactions [8] and non-stoichiometric models based on minimization of the Gibbs free energy [9][10][11][12][13]. Some researchers [14][15][16] simulated the gasification process based on non-stoichiometric models, whereas other researchers [17][18][19] paid more attention to stoichiometric models.…”

Section: Introductionmentioning

confidence: 99%

Numerical Investigation of the Air-Steam Biomass Gasification Process Based on Thermodynamic Equilibrium Model

Eri

Zhao

2017

Energies

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Abstract:In the present work, the air-steam biomass gasification model with tar has been developed based on the equilibrium constants. The simulation results based on two different models (with and without tar) have been validated by the experimental data. The model with tar can well predict the tar content in gasification; meanwhile, the predicted gas yield (GY), based on the model with tar, is much closer to the experimental data. The energy exchange between the gasifier and the surrounding has been studied based on the dimensionless heat transfer ratio (DHTR), and the relationship between DHTR and the process parameters is given by a formula. The influence of process parameters on the syngas composition, tar content, GY, lower heating value (LHV), and exergy efficiency have been researched.

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Simulation of Syngas Production from Lignin Using Guaiacol as a Model Compound

Cited by 18 publications

References 30 publications

(Solar) Mixed Reforming of Methane: Potential and Limits in Utilizing CO2 as Feedstock for Syngas Production—A Thermodynamic Analysis

(Solar) Mixed Reforming of Methane: Potential and Limits in Utilizing CO2 as Feedstock for Syngas Production—A Thermodynamic Analysis

Mechanistic and Kinetic Investigations on the Ozonolysis of Biomass Burning Products: Guaiacol, Syringol and Creosol

Numerical Investigation of the Air-Steam Biomass Gasification Process Based on Thermodynamic Equilibrium Model

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