From UNIQUAC to modified UNIFAC Dortmund : a discussion
- Authors: Muzenda, Edison
- Date: 2013
- Subjects: Gibbs energy , Group contribution , Phase equilibrium , UNIFAC models
- Type: Article
- Identifier: uj:4868 , http://hdl.handle.net/10210/12544
- Description: This paper reviews and discusses the universal quasi – chemical theory and group contribution methods focusing on their application in phase equilibrium modeling and computation. The historical perspective, algorithm, strength, weaknesses and limitations are presented. The paper concludes with comparison of the performance of the various UNIFAC models.
- Full Text:
- Authors: Muzenda, Edison
- Date: 2013
- Subjects: Gibbs energy , Group contribution , Phase equilibrium , UNIFAC models
- Type: Article
- Identifier: uj:4868 , http://hdl.handle.net/10210/12544
- Description: This paper reviews and discusses the universal quasi – chemical theory and group contribution methods focusing on their application in phase equilibrium modeling and computation. The historical perspective, algorithm, strength, weaknesses and limitations are presented. The paper concludes with comparison of the performance of the various UNIFAC models.
- Full Text:
Organics – biodiesel systems phase equilibrium computation : part 1
- Nkosi, Nhlanhla P., Mokoena, Phumzile, Muzenda, Edison, Belaid, Mohamed
- Authors: Nkosi, Nhlanhla P. , Mokoena, Phumzile , Muzenda, Edison , Belaid, Mohamed
- Date: 2011
- Subjects: Activity coefficient , Group contribution , Phase equilibrium , Solubility , Volatile organic compounds
- Type: Article
- Identifier: uj:4675 , http://hdl.handle.net/10210/10444
- Description: The group contribution concept can be applied in the estimation of thermodynamic properties of pure compounds and mixtures. The Modified UNIFAC (Dortmund) is a successful and well-known group contribution model for phase equilibria prediction. In this paper the application of this model to the phase equilibrium of biodiesel - volatile organic compounds systems was tested. Infinite dilution activity coefficients of 30 selected volatile organic compounds (VOCs) in methyl linoleate and methyl palmitate were estimated. The VOCs groups covered in the selection were alkanes, alkenes, alkynes, aromatics, ethers and ketones. The estimated phase equilibrium is favourable for the absorption of these organics into methyl linoleate. The solubility was found to decrease with increase in molecular weight of the VOCs in each group. Saturation was also found to have an effect on solubility. Experimental data are often not available, at least for preliminary design and feasibility studies of absorption processes, group contribution methods can be utilized to predict the required phase equilibria.
- Full Text:
- Authors: Nkosi, Nhlanhla P. , Mokoena, Phumzile , Muzenda, Edison , Belaid, Mohamed
- Date: 2011
- Subjects: Activity coefficient , Group contribution , Phase equilibrium , Solubility , Volatile organic compounds
- Type: Article
- Identifier: uj:4675 , http://hdl.handle.net/10210/10444
- Description: The group contribution concept can be applied in the estimation of thermodynamic properties of pure compounds and mixtures. The Modified UNIFAC (Dortmund) is a successful and well-known group contribution model for phase equilibria prediction. In this paper the application of this model to the phase equilibrium of biodiesel - volatile organic compounds systems was tested. Infinite dilution activity coefficients of 30 selected volatile organic compounds (VOCs) in methyl linoleate and methyl palmitate were estimated. The VOCs groups covered in the selection were alkanes, alkenes, alkynes, aromatics, ethers and ketones. The estimated phase equilibrium is favourable for the absorption of these organics into methyl linoleate. The solubility was found to decrease with increase in molecular weight of the VOCs in each group. Saturation was also found to have an effect on solubility. Experimental data are often not available, at least for preliminary design and feasibility studies of absorption processes, group contribution methods can be utilized to predict the required phase equilibria.
- Full Text:
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