000119783 001__ 119783
000119783 005__ 20230519145521.0
000119783 0247_ $$2doi$$a10.1021/acs.energyfuels.1c01709
000119783 0248_ $$2sideral$$a126816
000119783 037__ $$aART-2021-126816
000119783 041__ $$aeng
000119783 100__ $$0(orcid)0000-0001-7035-1955$$aFonts, Isabel
000119783 245__ $$aThermodynamic and physical property estimation of compounds derived from the fast pyrolysis of lignocellulosic materials
000119783 260__ $$c2021
000119783 5060_ $$aAccess copy available to the general public$$fUnrestricted
000119783 5203_ $$aThe development of biomass pyrolysis oil refineries is a very promising path for the production of biofuels and bioproducts from lignocellulosic materials. Given that bio-oil is a complex mixture of organic compounds, the production of valuable bioproducts may imply the use of different separation processes, such as distillation, selective condensation, crystallization based on melting points, liquid-liquid extraction or adsorption, and/or upgrading treatments, such as catalytic cracking or hydrodeoxygenation. In this context, the main objectives of this work are (1) to propose a simple but representative composition of the bio-oil, which can be used as a bio-oil surrogate, and (2) to determine selected thermodynamic, physical, and molecular properties of the organic compounds included in the bio-oil surrogate using different estimation methods and calculation procedures. These properties are critical temperature, critical pressure, critical volume, normal boiling point, enthalpy of vaporization, vapor pressure curves, normal melting point, enthalpy of fusion, heat capacities of gas, liquid, and solid, gas and liquid standard enthalpy of formation, gas standard Gibbs free energy of formation, Hansen solubility parameters, molecular volume, and molecular diameter. This group of properties has been selected for their possible application in the simulation or design of thermochemical, separation, and upgrading processes. Additionally, the suitability of the estimated thermodynamic properties and the proposed surrogate composition has been assessed by comparing experimental and literature data with the apparent enthalpy of formation of the bio-oil predicted from the weight-averaged contributions of the compounds as well as the heat required for the pyrolysis process at 500 °C.
000119783 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FEDER/T22-20R$$9info:eu-repo/grantAgreement/ES/MICINN/RTI2018-098856-B-100
000119783 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000119783 590__ $$a4.654$$b2021
000119783 591__ $$aENGINEERING, CHEMICAL$$b45 / 143 = 0.315$$c2021$$dQ2$$eT1
000119783 591__ $$aENERGY & FUELS$$b63 / 119 = 0.529$$c2021$$dQ3$$eT2
000119783 592__ $$a0.822$$b2021
000119783 593__ $$aChemical Engineering (miscellaneous)$$c2021$$dQ1
000119783 593__ $$aEnergy Engineering and Power Technology$$c2021$$dQ1
000119783 594__ $$a6.3$$b2021
000119783 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000119783 700__ $$0(orcid)0000-0002-5047-5106$$aAtienza-Martinez, Maria
000119783 700__ $$aCarstensen, Hans-Heinrich
000119783 700__ $$aBenes, Mario
000119783 700__ $$aPinheiro Pires, Anamaria Paiva
000119783 700__ $$aGarcia-Perez, Manuel
000119783 700__ $$0(orcid)0000-0002-5420-0943$$aBilbao, Rafael$$uUniversidad de Zaragoza
000119783 7102_ $$15005$$2555$$aUniversidad de Zaragoza$$bDpto. Ing.Quím.Tecnol.Med.Amb.$$cÁrea Ingeniería Química
000119783 773__ $$g35, 21 (2021), 17114-17137$$pEnergy fuels$$tEnergy and Fuels$$x0887-0624
000119783 8564_ $$s2302329$$uhttps://zaguan.unizar.es/record/119783/files/texto_completo.pdf$$yVersión publicada
000119783 8564_ $$s2818243$$uhttps://zaguan.unizar.es/record/119783/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000119783 909CO $$ooai:zaguan.unizar.es:119783$$particulos$$pdriver
000119783 951__ $$a2023-05-18-15:23:00
000119783 980__ $$aARTICLE