Hydrocarbons　play　an　important　role　in　industrial　productionses.　The　separation　and　purification　of　hydrocarbons　is　one　of　the　most　important　industrial　processes.　The　separation　of　low　carbon　hydrocarbon　gases　is　extremely　difficult　since　their　physicochemical　properties　are　similar　The　minor　differences　are　their　molecular　size　and　valence　state.　The　traditional　separation　methods　suffer　from　the　high　energy　consumption　and　low　efficiency.　Metal-organic　frameworks　show　superiority　in　separations　due　to　their　unique　properties　including　high　specific　surface　area,　high　porosity　and　controllable　structure　size.　Computational　simulation　has　been　widely　used　in　the　investigations　of　adsorption　and　separation　of　MOFs　since　it　can　describe　the　adsorption　and　separation　process　at　the　microscopic　level.　This　paper　reviews　the　recent　advances　in　computational　simulations　for　the　adsorption　and　separation　of　low-carbon　hydrocarbons　by　metal-organic　frameworks.　The　difficulties　and　future　developments　in　the　study　of　adsorption　and　separation　of　low　carbon　hydrocarbons　by　metal-organic　frameworks　have　also　been　discussed.