Violates　containing　polycyclic　aromatic　hydrocarbons　(PAHs)　were　precipitated　in　the　process　of　fast　pyrolysis　and　gasification　of　coal　and　organic　substances.　PAHs　are　one　of　bottlenecks　of　entire　coal　gasification　for　hydrogen　production.　In　current　work,　the　solubility　of　PAH　oil　droplets　in　supercritical　water/hydrogen　circumstances　were　investigated　based　on　molecular　dynamics　simulation,　which　was　beneficial　for　understanding　the　solubility　behaviors　of　PAHs　in　supercritical　water/hydrogen　environment.　The　results　showed　that　heavy　PAHs　were　rather　stable　in　the　water　phase.　Supercritical　water　along　with　hydrogen　promoted　the　miscibility　of　PAHs　compared　with　that　of　pure　supercritical　water.　Furthermore,　high　density　and　high　temperature　facilitated　the　rapid　solvation　of　PAHs　in　supercritical　water/hydrogen　environment.　This　paper　is　expected　to　provide　a　theoretical　support　for　the　development　of　complete　coal　gasification　technology　for　hydrogen　production.　©　2020　Hydrogen　Energy　Publications　LLC