Wykorzystanie symulacji Monte Carlo do oceny potencjału zastosowania nanowęgli gyroidalnych jako adsorbentów do wychwytu ditlenku siarki
DOI:
https://doi.org/10.55225/sti.619Słowa kluczowe:
ditlenek siarki, SO₂, adsorpcja, nanoporowate węgle gyroidalne, symulacje molekularneAbstrakt
Ditlenek siarki jest zanieczyszczeniem gazowym mogącym wywierać negatywny wpływ na środowisko naturalne oraz ludzkie zdrowie. Adsorpcja jest jedną z metod, którą można wykorzystać do jego usuwania. W ramach niniejszego badania wykorzystano symulacje Monte Carlo do przewidzenia właściwości adsorpcyjnych nanoporowatych węgli gyroidalnych względem SO₂. Układy tego typu stanowią nową obiecującą klasę szeroko rozumianych nanomateriałów węglowych. Wykorzystując serię węglowych struktur modelowych o geometrii gyroidalnej, w sposób systematyczny zbadano ilościowo wpływ różnic ich struktury porowatej na wychwyt ditlenku siarki. Dokonano również porównania z adsorpcją w nieuporządkowanych porach węgli aktywnych. Potwierdzono, że kluczowym parametrem jest rozmiar porów. Nanowęgle gyroidalne o węższych porach adsorbują większą ilość SO₂ przy jego niskiej prężności, a jednocześnie cała objętość ich porów może zostać zapełniona przy niższym ciśnieniu. Zwiększenie rozmiaru porów sprawia jednak, że rośnie maksymalna liczba moli ditlenku siarki pochłaniana przez jednostkę masy adsorbentu, ale jej osiągnięcie następuje przy wyższej prężności tego gazu. Z praktycznego punktu widzenia znaczenie ma przede wszystkim adsorpcja przy jego niskich ciśnieniach. W takich warunkach nanowęgle gyroidalne, zwłaszcza te o wąskich porach, jak GNC-04, mogą być efektywnymi adsorbentami SO₂.
Statystyka pobrań
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