Диссертация (Диаграммы состояний мультиблоксополимеров из гибких и полужестких блоков - компьютерное моделирование), страница 20
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Ñëå-äîâàòåëüíî, êîíôîðìàöèîííûå ìèêðîêàíîíè÷åñêèå òåìïåðàòóðû äëÿ äâóõ ñëó÷àåâ îïðåäåëÿþòñÿ êàê TB−1 (U ) = dSB (U )/dU è TG−1 (U ) = dSG (U )/dU .8.1Ôóíêöèÿ ïëîòíîñòè ñîñòîÿíèé â ôàçîâîì ïðîñòðàíñòâåÎïðåäåëåíèÿ òåðìîäèíàìè÷åñêèõ âåëè÷èí ïî Áîëüöìàíó èëè Ãèááñó îñòàþòñÿèäåíòè÷íûìè, íàäî òîëüêî çàìåíèòü êîíôîðìàöèîííóþ ýíåðãèþ ïîëíîé ýíåðãèåé E = U + K . Ïîýòîìó ñëåäóåò ðåøèòü âîïðîñ, êàê âû÷èñëèòü ôóíêöèþïëîòíîñòè ñîñòîÿíèé, g(E) â ôàçîâîì ïðîñòðàíñòâå èç ôóíêöèè ïëîòíîñòè ñîñòîÿíèé, g(U ), â êîíôîðìàöèîííîì ïðîñòðàíñòâå, êîòîðàÿ îïðåäåëÿåòñÿ ÷èñëåííî ïðè ìîäåëèðîâàíèè [160]. Äëÿ äàííûõ K è U ÷èñëà âîçìîæíûõ ñîñòîÿíèég2 (U, K) = gid (K) · g (U ), ãäå gid åñòü ÷èñëî âîçìîæíûõ êîìáèíàöèé èìïóëüñîâ,äàþùèõ êèíåòè÷åñêóþ ýíåðãèþ K . Ôóíêöèÿ ïëîòíîñòü ñîñòîÿíèé g (E) â òàêîìñëó÷àå ìîæåò áûòü íàéäåíà ïóòåì èíòåãðèðîâàíèÿUZmaxg (E) =Z∞dK g2 (U, K) δ (E − K − U )dUUmin0èëè â ñëó÷àå äèñêðåòíîãî ñïåêòðà ïîòåíöèàëüíûõ ýíåðãèé, íà êîòîðûõ áóäåòñîñðåäîòî÷åíî âíèìàíèå â äàëüíåéøåìg (E) =UmaxXZ∞dK g2 (U, K) δ (E − K − U )U =Umin 0118(79)Çäåñü Umin è Umax ìèíèìàëüíàÿ è ìàêñèìàëüíàÿ âîçìîæíûå êîíôîðìàöèîííûå ýíåðãèè.