Evaluation of Experimental and Predicted Vapor-Liquid Equilibrium Data for Systems Relevant to Biomass Fast Pyrolysis and Catalytic Upgrading: NIST Interagency/Internal Report (NISTIR) - 8357

Abhijit Dutta; Eugene Paulechka; Vladimir Diky

doi:10.6028/NIST.IR.8357

Evaluation of Experimental and Predicted Vapor-Liquid Equilibrium Data for Systems Relevant to Biomass Fast Pyrolysis and Catalytic Upgrading: NIST Interagency/Internal Report (NISTIR) - 8357

Abhijit Dutta, Eugene Paulechka, Vladimir Diky

Catalytic Carbon Transformation and Scale-Up Center

United States Department of Commerce

Research output: NREL › Technical Report

Abstract

The experimental vapor-liquid equilibrium (VLE) data for the binaries relevant to the catalytic fast pyrolysis of biomass have been collected and analyzed using the NIST-COSMO-SAC and NIST-modified UNIFAC models. The existing inconsistencies in the experimental data and the predicted values are discussed. For VLE with furan derivatives, PTxy data are normally reported, and the predicted values are in good agreement with them. For phenolic compounds, the gas phase compositions are available for only 36 % of the points, most results originate from a few laboratories, and each system has been typically studied in a single laboratory. The binaries are identified where more experimental VLE data are required to evaluate quality of the existing experimental and predicted results.

Original language	American English
Number of pages	75
DOIs	https://doi.org/10.6028/NIST.IR.8357
State	Published - 2021

Bibliographical note

Report published by NIST: https://www.nist.gov/publications/evaluation-experimental-and-predicted-vapor-liquid-equilibrium-data-systems-relevant

NREL Publication Number

NREL/TP-5100-78193

Keywords

catalytic fast pyrolysis
predictive models
vapor-liquid equilibria

Access to Document

10.6028/NIST.IR.8357

Cite this

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title = "Evaluation of Experimental and Predicted Vapor-Liquid Equilibrium Data for Systems Relevant to Biomass Fast Pyrolysis and Catalytic Upgrading: NIST Interagency/Internal Report (NISTIR) - 8357",

abstract = "The experimental vapor-liquid equilibrium (VLE) data for the binaries relevant to the catalytic fast pyrolysis of biomass have been collected and analyzed using the NIST-COSMO-SAC and NIST-modified UNIFAC models. The existing inconsistencies in the experimental data and the predicted values are discussed. For VLE with furan derivatives, PTxy data are normally reported, and the predicted values are in good agreement with them. For phenolic compounds, the gas phase compositions are available for only 36 % of the points, most results originate from a few laboratories, and each system has been typically studied in a single laboratory. The binaries are identified where more experimental VLE data are required to evaluate quality of the existing experimental and predicted results.",

keywords = "catalytic fast pyrolysis, predictive models, vapor-liquid equilibria",

author = "Abhijit Dutta and Eugene Paulechka and Vladimir Diky",

note = "Report published by NIST: https://www.nist.gov/publications/evaluation-experimental-and-predicted-vapor-liquid-equilibrium-data-systems-relevant",

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doi = "10.6028/NIST.IR.8357",

language = "American English",

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T2 - NIST Interagency/Internal Report (NISTIR) - 8357

AU - Dutta, Abhijit

AU - Paulechka, Eugene

AU - Diky, Vladimir

N1 - Report published by NIST: https://www.nist.gov/publications/evaluation-experimental-and-predicted-vapor-liquid-equilibrium-data-systems-relevant

PY - 2021

Y1 - 2021

N2 - The experimental vapor-liquid equilibrium (VLE) data for the binaries relevant to the catalytic fast pyrolysis of biomass have been collected and analyzed using the NIST-COSMO-SAC and NIST-modified UNIFAC models. The existing inconsistencies in the experimental data and the predicted values are discussed. For VLE with furan derivatives, PTxy data are normally reported, and the predicted values are in good agreement with them. For phenolic compounds, the gas phase compositions are available for only 36 % of the points, most results originate from a few laboratories, and each system has been typically studied in a single laboratory. The binaries are identified where more experimental VLE data are required to evaluate quality of the existing experimental and predicted results.

AB - The experimental vapor-liquid equilibrium (VLE) data for the binaries relevant to the catalytic fast pyrolysis of biomass have been collected and analyzed using the NIST-COSMO-SAC and NIST-modified UNIFAC models. The existing inconsistencies in the experimental data and the predicted values are discussed. For VLE with furan derivatives, PTxy data are normally reported, and the predicted values are in good agreement with them. For phenolic compounds, the gas phase compositions are available for only 36 % of the points, most results originate from a few laboratories, and each system has been typically studied in a single laboratory. The binaries are identified where more experimental VLE data are required to evaluate quality of the existing experimental and predicted results.

KW - catalytic fast pyrolysis

KW - predictive models

KW - vapor-liquid equilibria

U2 - 10.6028/NIST.IR.8357

DO - 10.6028/NIST.IR.8357

M3 - Technical Report

ER -

Evaluation of Experimental and Predicted Vapor-Liquid Equilibrium Data for Systems Relevant to Biomass Fast Pyrolysis and Catalytic Upgrading: NIST Interagency/Internal Report (NISTIR) - 8357

Abstract

Bibliographical note

NREL Publication Number

Keywords

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