The　adsorption　of　hydrogen　sulfide　in　gas　reservoir　cores　is　important　to　natural　gas　industry　for　predicting　the　sulfur　content.　Here,　the　adsorption　of　hydrogen　sulfide　in　the　calcite　pore　is　investigated　using　molecular　simulations.　The　results　show　that　the　absolute　adsorption　amount　of　H2S　increases　with　the　increasing　of　the　pressure.　However,　the　absolute　adsorption　amount　decreases　with　the　increasing　of　temperature.　The　adsorption　capacity　of　H2S　on　the　calcite　surface　can　be　well　described　by　the　combination　of　Langmuir　equation　and　Clausius-Clapeyron　equation.　In　order　to　investigate　the　effect　of　hydrogen　bond　on　adsorption,　a　method　of　computing　the　hydrogen　bond　of　H2S　is　proposed.　The　number　of　the　average　hydrogen　bond　per　H2S　molecules　increases　with　the　increasing　of　pressure.　Furthermore,　the　existence　of　calcite　surface　will　affect　the　distribution　of　hydrogen　bond.　This　will　order　the　structures　of　H2S　molecules　near　the　calcite　surface　and　break　the　hydrogen　bonds.　(C)　2019　Elsevier　B.V.　All　rights　reserved.