Based　on　the　scaling　problem　on　the　outer　surface　of　the　steam　generator　tube　in　the　secondary　circuit　condition　of　pressurized　water　reactor,　the　molecular　dynamic　was　used　to　calculate　the　adsorption　characteristics　of　Fe3O4.　The　trajectory,　mean　squared　displacement,　radial　distribution　function　and　adsorption　energy　of　Fe3O4　agglomeration　and　deposition　process　were　further　analyzed　through　variation　of　temperature　and　concentration.　When　the　temperature　was　between　510　K　and　530　K,　the　diffusion　coefficient　of　Fe2+　and　OH−　could　reach　the　minimum　value　of　2.255　×　10-5　cm2/s　and　2.638　×　10-5　cm2/s,　respectively.　During　variation　of　Fe2+　concentration,　the　size　of　agglomerate　particles　increased　continuously,　and　the　diffusion　coefficient　of　H2O　can　reach　the　minimum　value　of　3.78　×　10-5　cm2/s.　Fe2+　with　positive　charges　can　effectively　agglomerate　with　H2O　and　OH−,　forming　the　tetrahedral　and　octahedral　structures　of　Fe3O4　crystal.　At　this　time,　a　small　number　of　OH−　were　adsorbed　at　the　interface　of　the　matrix,　forming　the　double　electrical　layer　and　affecting　the　deposition　of　agglomerated　Fe3O4.　Apart　from　this,　high　temperature　is　beneficial　to　inhibit　scaling　deposition　in　part.　Likewise,　low　concentration　of　the　dissolved　Fe2+　and　OH−　can　also　lead　to　weaker　deposition　of　agglomerated　Fe3O4　on　the　outer　scaling　layer　of　the　secondary　side　in　the　steam　generator.　©　2021　Elsevier　B.V.