Equilibrium sorption of propane and 1-hexene in polyethylene: Experiments and perturbed-chain statistical associating fluid theory simulations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F17%3A43914169" target="_blank" >RIV/60461373:22340/17:43914169 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.iecr.7b00572" target="_blank" >http://dx.doi.org/10.1021/acs.iecr.7b00572</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.iecr.7b00572" target="_blank" >10.1021/acs.iecr.7b00572</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Equilibrium sorption of propane and 1-hexene in polyethylene: Experiments and perturbed-chain statistical associating fluid theory simulations

Popis výsledku v původním jazyce

The availability of sorption equilibrium data is important for the design and optimization of polymerization processes. In this work, we used a gravimetric apparatus based on a magnetic suspension balance and the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state to study the equilibrium sorption of propane and 1-hexene in polyethylene (PE). Propane is used as a diluent in the gas-phase catalytic polymerization of ethylene, while 1-hexene is a commonly used comonomer. Experiments were carried out at industrially relevant conditions using a large set of PE samples with densities from 902 to 967 kg m?3. The solubilities were rigorously evaluated using temperature-dependent crystallinities, and swelling corrections were considered. The solubilities of both penetrants increased with decreasing temperature and decreasing PE crystallinity. Additionally, the PC-SAFT binary interaction parameters did not depend on the temperature. Such dependencies are predicted by theory but are only rarely obtained for complex samples such as semicrystalline polymers. The fact that the penetrant solubilities depend on the crystallinity despite being evaluated per gram of amorphous PE supports the concept of elastic constraints.

Název v anglickém jazyce

Equilibrium sorption of propane and 1-hexene in polyethylene: Experiments and perturbed-chain statistical associating fluid theory simulations

Popis výsledku anglicky

The availability of sorption equilibrium data is important for the design and optimization of polymerization processes. In this work, we used a gravimetric apparatus based on a magnetic suspension balance and the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state to study the equilibrium sorption of propane and 1-hexene in polyethylene (PE). Propane is used as a diluent in the gas-phase catalytic polymerization of ethylene, while 1-hexene is a commonly used comonomer. Experiments were carried out at industrially relevant conditions using a large set of PE samples with densities from 902 to 967 kg m?3. The solubilities were rigorously evaluated using temperature-dependent crystallinities, and swelling corrections were considered. The solubilities of both penetrants increased with decreasing temperature and decreasing PE crystallinity. Additionally, the PC-SAFT binary interaction parameters did not depend on the temperature. Such dependencies are predicted by theory but are only rarely obtained for complex samples such as semicrystalline polymers. The fact that the penetrant solubilities depend on the crystallinity despite being evaluated per gram of amorphous PE supports the concept of elastic constraints.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20402 - Chemical process engineering

Projekt

<a href="/cs/project/GA16-07898S" target="_blank" >GA16-07898S: Aglomerace částic polyolefinů studovaná na meso-měřítku</a><br>

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Industrial and Engineering Chemistry Research

ISSN

0888-5885

e-ISSN

—

Svazek periodika

56

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

6820-6826

Kód UT WoS článku

000403631000028

EID výsledku v databázi Scopus

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