It　is　important　to　understand　the　thermophysical　properties　and　structure　of　the　molten　salt　as　heat　transfer　medium　for　the　supercritical　CO2　power　generation.　Molecular　dynamics　simulation　was　used　in　this　paper　to　study　the　structure　and　properties　of　the　novel　0.259KNO(2)-0.687KNO(3)-0.054K(2)CO(3)　molten　salt,　including　radial　distribution　function,　coordination　number,　angular　distribution　function,　self-diffusion　coefficient,　density,　thermal　conductivity,　viscosity　and　heat　capacity.　The　intra-molecular　potential　parameters　of　KNO2　and　K2CO3　were　calculated　during　the　simulation,　and　the　satisfactory　accuracy　at　high　temperature　for　the　complex　mixed　molten　salts　was　verified.　The　relation　between　the　microstructure　and　physical　properties　of　the　specific　molten　salts　was　discussed.　The　computed　values　for　density,　thermal　conductivity,　and　specific　heat　closely　match　the　experimental　data.　The　results　show　that　with　the　increase　of　temperature,　the　thermal　conductivity,　the　density　and　viscosity　all　decreases,　the　distance　of　ion　clusters　and　the　self-diffusion　coefficient　increases　but　the　configuration　of　K+-NO3-　hardly　changes.　The　results　of　radial　distribution　function,　coordination　number　and　angular　distribution　function　show　that　the　K2CO3　component　of　ternary　salt　weakens　the　interaction　of　K+-NO3-　and　enhances　the　interaction　of　K+-NO2-　and　K+-CO23-.　It　is　also　further　indicated　that　the　addition　of　K2CO3　can　reduced　the　K+-K+　distance　and　diffusion　coefficient　in　nitrate.　The　instability　of　NO2--K+-NO2-　configuration　results　in　the　large　diffusion　coefficient　of　NO2-　in　the　ternary　molten　salt　system.