A new material for the selective olefin/paraffin separation by adsorption

Lourdes F. Vega, Carmelo Herdes, Anabela Valente, Zhi Lin, Joao Rocha, Joao A P Coutinho

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

An adsorbent material selective to ethyl chloride vs. vinyl chloride is proposed. A robust model based on Monte Carlo simulations is presented for predictive purposes concerning the separation of ethyl chloride/vinyl chloride at optimal conditions. The adsorption capacity of aluminum methyl phosphonate polymorph alpha (AlMePO-alpha) for pure ethyl chloride and vinyl chloride by measured/calculated individual adsorption isotherms of these pure compounds was studied. An existing model for ethyl chloride was improved to better capture the experimental dipole value. Equivalent molecular model for the vinyl chloride molecule was also developed for the simulation purposes. Simulations of the pure compounds were in excellent agreement with the measured experimental data. Once the model was proved to be reliable, simulations were them used in a purely predictive manner as a tool to find the optimal conditions for the selective adsorption of these compounds. Results supported the use of the AlMePO-alpha; as an appropriate adsorbent in the purification process of vinyl chloride, upholding the selective adsorption of the paraffin. This is an abstract of a paper presented at the 2007 AIChE Annual Meeting (Salt Lake City, UT 11/4-9/2007).11/4-9/2007).

Original languageEnglish
Title of host publication2007 AIChE Annual Meeting
Publication statusPublished - 2007
Event2007 AIChE Annual Meeting - Salt Lake City, UT, USA United States
Duration: 4 Nov 20079 Nov 2007

Conference

Conference2007 AIChE Annual Meeting
CountryUSA United States
CitySalt Lake City, UT
Period4/11/079/11/07

Fingerprint

Vinyl Chloride
Ethyl Chloride
Alkenes
Paraffin
Adsorption
Organophosphonates
Polymorphism
Aluminum
Adsorbents
Adsorption isotherms
Purification
Molecules

Cite this

Vega, L. F., Herdes, C., Valente, A., Lin, Z., Rocha, J., & Coutinho, J. A. P. (2007). A new material for the selective olefin/paraffin separation by adsorption. In 2007 AIChE Annual Meeting

A new material for the selective olefin/paraffin separation by adsorption. / Vega, Lourdes F.; Herdes, Carmelo; Valente, Anabela; Lin, Zhi; Rocha, Joao; Coutinho, Joao A P.

2007 AIChE Annual Meeting. 2007.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Vega, LF, Herdes, C, Valente, A, Lin, Z, Rocha, J & Coutinho, JAP 2007, A new material for the selective olefin/paraffin separation by adsorption. in 2007 AIChE Annual Meeting. 2007 AIChE Annual Meeting, Salt Lake City, UT, USA United States, 4/11/07.
Vega LF, Herdes C, Valente A, Lin Z, Rocha J, Coutinho JAP. A new material for the selective olefin/paraffin separation by adsorption. In 2007 AIChE Annual Meeting. 2007
Vega, Lourdes F. ; Herdes, Carmelo ; Valente, Anabela ; Lin, Zhi ; Rocha, Joao ; Coutinho, Joao A P. / A new material for the selective olefin/paraffin separation by adsorption. 2007 AIChE Annual Meeting. 2007.
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AU - Vega, Lourdes F.

AU - Herdes, Carmelo

AU - Valente, Anabela

AU - Lin, Zhi

AU - Rocha, Joao

AU - Coutinho, Joao A P

PY - 2007

Y1 - 2007

N2 - An adsorbent material selective to ethyl chloride vs. vinyl chloride is proposed. A robust model based on Monte Carlo simulations is presented for predictive purposes concerning the separation of ethyl chloride/vinyl chloride at optimal conditions. The adsorption capacity of aluminum methyl phosphonate polymorph alpha (AlMePO-alpha) for pure ethyl chloride and vinyl chloride by measured/calculated individual adsorption isotherms of these pure compounds was studied. An existing model for ethyl chloride was improved to better capture the experimental dipole value. Equivalent molecular model for the vinyl chloride molecule was also developed for the simulation purposes. Simulations of the pure compounds were in excellent agreement with the measured experimental data. Once the model was proved to be reliable, simulations were them used in a purely predictive manner as a tool to find the optimal conditions for the selective adsorption of these compounds. Results supported the use of the AlMePO-alpha; as an appropriate adsorbent in the purification process of vinyl chloride, upholding the selective adsorption of the paraffin. This is an abstract of a paper presented at the 2007 AIChE Annual Meeting (Salt Lake City, UT 11/4-9/2007).11/4-9/2007).

AB - An adsorbent material selective to ethyl chloride vs. vinyl chloride is proposed. A robust model based on Monte Carlo simulations is presented for predictive purposes concerning the separation of ethyl chloride/vinyl chloride at optimal conditions. The adsorption capacity of aluminum methyl phosphonate polymorph alpha (AlMePO-alpha) for pure ethyl chloride and vinyl chloride by measured/calculated individual adsorption isotherms of these pure compounds was studied. An existing model for ethyl chloride was improved to better capture the experimental dipole value. Equivalent molecular model for the vinyl chloride molecule was also developed for the simulation purposes. Simulations of the pure compounds were in excellent agreement with the measured experimental data. Once the model was proved to be reliable, simulations were them used in a purely predictive manner as a tool to find the optimal conditions for the selective adsorption of these compounds. Results supported the use of the AlMePO-alpha; as an appropriate adsorbent in the purification process of vinyl chloride, upholding the selective adsorption of the paraffin. This is an abstract of a paper presented at the 2007 AIChE Annual Meeting (Salt Lake City, UT 11/4-9/2007).11/4-9/2007).

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