Cosolvent pretreatment in cellulosic biofuel production: effect of tetrahydrofuran-water on lignin structure and dynamics

Smith, Micholas Dean; Mostofian, Barmak; Cheng, Xiaolin; Petridis, Loukas; Cai, Charles M.; Wyman, Charles E.; Smith, Jeremy C.

doi:10.1039/c5gc01952d

Cited by 130 publications

(104 citation statements)

References 57 publications

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“…Furthermore, the angle distribution near −152° is narrower in 75% ethanol solution than in pure ethanol. This effect is in qualitative agreement with the results of Smith et al, who studied the conformation of lignin polymers of up to 60 units in water‐tetrahydrofuran (THF) mixtures . In their study, they found that mixed solvents facilitate the solvation of lignin molecules, which, instead, in pure water adopt a crumbled globular‐like shape, with a considerably reduced SASA.…”

Section: Resultssupporting

confidence: 90%

Synergistic Sorption of Mixed Solvents in Wood Cell Walls: Experimental and Theoretical Approach

Aguilera-Segura

Bossu

Corn

et al. 2019

Macromolecular Symposia

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The behavior of poplar wood and its components in water‐ethanol mixtures is investigated through a coupled experimental and theoretical approach including physico‐chemical and dynamic mechanical analyses and molecular dynamics simulations. Affinity for water‐ethanol vapors, measured by isothermal gravimetric sorption experiments, features a maximum for mixed vapors. The longitudinal viscoelastic behavior of the same wood upon immersion in ethanol‐water solutions, measured by dynamic mechanical analysis, features a minimum in storage modulus and a maximum damping upon immersion in solutions of intermediate composition. Optical microscopy observation of solvent‐saturated samples evidences inter‐ and intra‐cellular disbonding in pure ethanol and ethanol aqueous solutions. Molecular dynamics simulations provide information on interactions of water‐ethanol solutions with models of cellulose microfibers and lignin. The relative solvation of cellulose microfibers by water and ethanol shows a nearly linear variation with the composition of the solution. In contrast, the accessibility of lignin dimers to the solvent presents a maximum at intermediate ethanol concentrations, in correspondence with a conformational transition of the dimer towards an extended conformation. The modelization of the interactions of cellulose and lignin in water‐ethanol solutions indicates a minimum of adhesion of the two components of wood in the presence of solutions with intermediate concentrations.

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Section: Resultssupporting

confidence: 90%

Synergistic Sorption of Mixed Solvents in Wood Cell Walls: Experimental and Theoretical Approach

Aguilera-Segura

Bossu

Corn

et al. 2019

Macromolecular Symposia

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“…THF has ab oiling point of 66 8 8Ca nd ad ensity of 0.8892 gcm À3 .T he main use of THF is for the synthesis of poly(tetramethylene ether) glycol (PTMEG;8 0-88 %o f world annual production), as as olvent in chemical synthesis and processes (mainly for polymerization reactions), and as ac osolvent in pretreatment processes for biomass. [334] The most widely used industrial process for the production of THF involves the acid-catalyzed dehydration of 1,4-butandiol [335] (Scheme 12 b) which can be produced through the acetylene/ formaldehyde Reppe process or by the hydrogenation of the renewable platform chemical succinic acid, derived from glucose. [37,336] Additionally,m any improvements have been established for the direct hydrogenation of succinic acid to THF in one step (Scheme 12 a).…”

Section: Tetrahydrofuran (Thf)mentioning

confidence: 99%

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

et al. 2017

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Sustainably produced biofuels, especially when they are derived from lignocellulosic biomass, are being discussed intensively for future ground transportation. Traditionally, research activities focus on the synthesis process, while leaving their combustion properties to be evaluated by a different community. This Review adopts an integrative view of engine combustion and fuel synthesis, focusing on chemical aspects as the common denominator. It will be demonstrated that a fundamental understanding of the combustion process can be instrumental to derive design criteria for the molecular structure of fuel candidates, which can then be targets for the analysis of synthetic pathways and the development of catalytic production routes. With such an integrative approach to fuel design, it will be possible to improve systematically the entire system, spanning biomass feedstock, conversion process, fuel, engine, and pollutants with a view to improve the carbon footprint, increase efficiency, and reduce emissions.

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“…THF is mainly used for the production of poly(tetramethylene ether) glycol as a chemical solvent [31,83]. It is also being considered as a biofuel candidate.…”

Section: Tetrahydrofuranmentioning

confidence: 99%

Recent Trends in the Production, Combustion and Modeling of Furan-Based Fuels

Eldeeb

Akih-Kumgeh

2018

Energies

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Abstract:There is growing interest in the use of furans, a class of alternative fuels derived from biomass, as transportation fuels. This paper reviews recent progress in the characterization of its combustion properties. It reviews their production processes, theoretical kinetic explorations and fundamental combustion properties. The theoretical efforts are focused on the mechanistic pathways for furan decomposition and oxidation, as well as the development of detailed chemical kinetic models. The experiments reviewed are mostly concerned with the temporal evolutions of homogeneous reactors and the propagation of laminar flames. The main thrust in homogeneous reactors is to determine global chemical time scales such as ignition delay times. Some studies have adopted a comparative approach to bring out reactivity differences. Chemical kinetic models with varying degrees of predictive success have been established. Experiments have revealed the relative behavior of their combustion. The growing body of literature in this area of combustion chemistry of alternative fuels shows a great potential for these fuels in terms of sustainable production and engine performance. However, these studies raise further questions regarding the chemical interactions of furans with other hydrocarbons. There are also open questions about the toxicity of the byproducts of combustion.

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Cosolvent pretreatment in cellulosic biofuel production: effect of tetrahydrofuran-water on lignin structure and dynamics

Cited by 130 publications

References 57 publications

Synergistic Sorption of Mixed Solvents in Wood Cell Walls: Experimental and Theoretical Approach

Synergistic Sorption of Mixed Solvents in Wood Cell Walls: Experimental and Theoretical Approach

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

Recent Trends in the Production, Combustion and Modeling of Furan-Based Fuels

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