Improved dynamic model for an unsaturated polyester process by non-ideal thermodynamics

M.R. Shah; E. Zondervan; A.B. Haan, de

Improved dynamic model for an unsaturated polyester process by non-ideal thermodynamics

M.R. Shah, E. Zondervan, A.B. Haan, de

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

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Abstract

An extended dynamic model is presented for a polyesterification reaction in a semi-batch wise operated vessel connected to a distillation column. The developed model describes the effect of polymerization on reactants. The model also contains kinetics describing the change of rate order during the reaction. To improve the predictive capabilities, the model has been extended with advanced thermodynamic POLYNRTL activities. The extended model is subsequently validated with experimental data from literature. It was found that the prediction of distilled mass (regression coefficient (R2) = 0.995) and propylene glycol concentration (R2 = 0.97) in distilled mass is significantly improved.

Original language	English
Title of host publication	Proceedings 21st International Symposium on Chemical Reaction Engineering (ISCRE-21), June 13-16, 2010, Philadelphia, PA, USA
Pages	76-1/2
Publication status	Published - 2010
Event	21st International Symposium on Chemical Reaction Engineering (ISCRE 21) - Philadelphia, PA, United States Duration: 13 Jun 2010 → 16 Jun 2010

Conference

Conference	21st International Symposium on Chemical Reaction Engineering (ISCRE 21)
Abbreviated title	ISCRE 21
Country/Territory	United States
City	Philadelphia, PA
Period	13/06/10 → 16/06/10

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title = "Improved dynamic model for an unsaturated polyester process by non-ideal thermodynamics",

abstract = "An extended dynamic model is presented for a polyesterification reaction in a semi-batch wise operated vessel connected to a distillation column. The developed model describes the effect of polymerization on reactants. The model also contains kinetics describing the change of rate order during the reaction. To improve the predictive capabilities, the model has been extended with advanced thermodynamic POLYNRTL activities. The extended model is subsequently validated with experimental data from literature. It was found that the prediction of distilled mass (regression coefficient (R2) = 0.995) and propylene glycol concentration (R2 = 0.97) in distilled mass is significantly improved.",

author = "M.R. Shah and E. Zondervan and {Haan, de}, A.B.",

year = "2010",

language = "English",

pages = "76--1/2",

booktitle = "Proceedings 21st International Symposium on Chemical Reaction Engineering (ISCRE-21), June 13-16, 2010, Philadelphia, PA, USA",

note = "21st International Symposium on Chemical Reaction Engineering (ISCRE 21), ISCRE 21 ; Conference date: 13-06-2010 Through 16-06-2010",

}

Shah, MR, Zondervan, E & Haan, de, AB 2010, Improved dynamic model for an unsaturated polyester process by non-ideal thermodynamics. in Proceedings 21st International Symposium on Chemical Reaction Engineering (ISCRE-21), June 13-16, 2010, Philadelphia, PA, USA. pp. 76-1/2, 21st International Symposium on Chemical Reaction Engineering (ISCRE 21), Philadelphia, PA, United States, 13/06/10.

Improved dynamic model for an unsaturated polyester process by non-ideal thermodynamics. / Shah, M.R.; Zondervan, E.; Haan, de, A.B.

Proceedings 21st International Symposium on Chemical Reaction Engineering (ISCRE-21), June 13-16, 2010, Philadelphia, PA, USA. 2010. p. 76-1/2.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

TY - GEN

T1 - Improved dynamic model for an unsaturated polyester process by non-ideal thermodynamics

AU - Shah, M.R.

AU - Zondervan, E.

AU - Haan, de, A.B.

PY - 2010

Y1 - 2010

N2 - An extended dynamic model is presented for a polyesterification reaction in a semi-batch wise operated vessel connected to a distillation column. The developed model describes the effect of polymerization on reactants. The model also contains kinetics describing the change of rate order during the reaction. To improve the predictive capabilities, the model has been extended with advanced thermodynamic POLYNRTL activities. The extended model is subsequently validated with experimental data from literature. It was found that the prediction of distilled mass (regression coefficient (R2) = 0.995) and propylene glycol concentration (R2 = 0.97) in distilled mass is significantly improved.

AB - An extended dynamic model is presented for a polyesterification reaction in a semi-batch wise operated vessel connected to a distillation column. The developed model describes the effect of polymerization on reactants. The model also contains kinetics describing the change of rate order during the reaction. To improve the predictive capabilities, the model has been extended with advanced thermodynamic POLYNRTL activities. The extended model is subsequently validated with experimental data from literature. It was found that the prediction of distilled mass (regression coefficient (R2) = 0.995) and propylene glycol concentration (R2 = 0.97) in distilled mass is significantly improved.

M3 - Conference contribution

SP - 76-1/2

BT - Proceedings 21st International Symposium on Chemical Reaction Engineering (ISCRE-21), June 13-16, 2010, Philadelphia, PA, USA

T2 - 21st International Symposium on Chemical Reaction Engineering (ISCRE 21)

Y2 - 13 June 2010 through 16 June 2010

ER -

Improved dynamic model for an unsaturated polyester process by non-ideal thermodynamics

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