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      Electronic excitation of furfural as probed by high-resolution vacuum ultraviolet spectroscopy, electron energy loss spectroscopy, and ab initio calculations

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          Furfural--a promising platform for lignocellulosic biofuels.

          Furfural offers a promising, rich platform for lignocellulosic biofuels. These include methylfuran and methyltetrahydrofuran, valerate esters, ethylfurfuryl and ethyltetrahydrofurfuryl ethers as well as various C(10)-C(15) coupling products. The various production routes are critically reviewed, and the needs for improvements are identified. Their relative industrial potential is analysed by defining an investment index and CO(2) emissions as well as determining the fuel properties for the resulting products. Finally, the most promising candidate, 2-methylfuran, was subjected to a road trial of 90,000 km in a gasoline blend. Importantly, the potential of the furfural platform relies heavily on the cost-competitive production of furfural from lignocellulosic feedstock. Conventional standalone and emerging coproduct processes-for example, as a coproduct of cellulosic ethanol, levulinic acid or hydroxymethyl furfural-are expensive and energetically demanding. Challenges and areas that need improvement are highlighted. In addition to providing a critical review of the literature, this paper also presents new results and analysis in this area.
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            Furfural: Hemicellulose/xylosederived biochemical

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              Time-dependent density-functional theory for molecules and molecular solids

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                Author and article information

                Journal
                The Journal of Chemical Physics
                The Journal of Chemical Physics
                AIP Publishing
                0021-9606
                1089-7690
                October 14 2015
                October 14 2015
                : 143
                : 14
                : 144308
                Affiliations
                [1 ]Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica, Portugal
                [2 ]School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001, Australia
                [3 ]ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Århus C, Denmark
                [4 ]Départment de Chimie, Institut de Chimie-Bât. B6C, Université de Liège, B-4000 Liège 1, Belgium
                [5 ]Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur, Malaysia
                [6 ]Departamento de Física, Universidade Federal de Juíz de Fora, Juíz de Fora, MG, Brazil
                [7 ]Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais, Brazil
                [8 ]Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo, Brazil
                [9 ]Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo, Brazil
                [10 ]Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, Brazil
                [11 ]Departamento de Física, Universidade Federal do Paraná, CP 19044, Curitiba, Paraná 81531-990, Brazil
                [12 ]Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040, Spain
                [13 ]Instituto de Fisica Fundamental, CSIC, Serrano 113-bis, 28006 Madrid, Spain
                Article
                10.1063/1.4932603
                487cf075-5850-4e5a-9749-7532806ca423
                © 2015
                History

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