پایان نامه پیش بینی ضریب هدایت حرارتی و ویسکوزیته نانو سیالات با استفاده از شبیه سازی دینامیک مولکولی

فهرست:

صفحه

1-1-تاریخچه شبیه سازی های رایانه ای                                                                                        2

1-2-نانوتکنولوژی                                                                                                                       3

1-2-1-کاربردها                                                                                                                         4

1-3- نانو ذرات                                                                                                                           4

1-3-1- کاربردهای نانو ذرات                                                                                                     5

1-4- نانو سیالات                                                                                                                         5

1-4-1- کاربردهای نانو سیال                                                                                                       7

1-5- اهداف پایان نامه                                                                                                                 9

فصل دوم: مبانی نظریه موضوع

2-1- اهمیت انتقال حرارت                                                                                                        11

2-1-1-اهمیت انتقال حرارت پیشرفته (انتقال حرارت نانو میکرومقیاس )                                      11

2-1-2- دلایل اصلی بهبود انتقال حرارت در نانوسیالات.                                                             14

2-2- خواص نانو سیال                                                                                                               15

2-2-1- افزایش هدایت حرارتی                                                                                                 15

2-2-1-1- عوامل موثر برضریب هدایت حرارتی نانوسیال                                                           15

2-3- مدل های ریاضی تخمین ضریب هدایت حرارتی نانوسیالات                                               24

2-4- افزایش ویسکوزیته                                                                                                           28 

2-5- شبیه سازی های دینامیک مولکولی و فرضیات حل مسئله                                                   30

2-5-1- روش های بررسی دینامیک حرکت                                                                              30                  

2-6-مکانیک آماری                                                                                                                 33

2-7-دینامیک نیوتنی                                                                                                                 33  

2-8- دینامیک هامیلتونی                                                                                             35   

2-9-انتخاب پیکربندی اولیه                                                                                                       38

2-9-1-فاکتور تراکم اتمی در سلول واحد Fcc                                                                         40

2-9-1-1-محاسبه فاکتور تراکم اتمی در سلول واحدFcc                                                        40

2-9-2-محاسبه دانسیته تئور ی مواد کریستالی                                                                          41

2-10-ابعاد، واحدها و مطابق کردن آنها                                                                                     41 2-11-مرزهای سیستم                                                                                                               44

2-11-1-شرایط مرزی متناوب                                                                                                   44

2-12-میدان های نیرو                                                                                                               46

2-12-1- پتانسیل برهمکنش و میدان های نیرو                                                                           47

2-12-2- پتانسیل های مدل کره- سخت                                                                                    49

2-12-3-پتانسیل لنارد- جونز                                                                                                     51

2-12-4- نیروهای برد بلند                                                                                                         55

2-12-5-برهمکنش های ناپیوندی الکترواستاتیکی                                                                     57

2-12-6- محاسبه بارهای اتمی جزیی                                                                                         57

2-12-4-3- روش جمع اوالد                                                                                                    59

2-13-برهمکنشهای میان مولکولهای آب و نانوذره                                                                    63

2-14-پتانسیل بین نانو ذرات                                                                                              65

2-15-قطع پتانسیل و قرار دادن نزدیک ترین تصویر                                                                    65

2-16-انتگرال گیری از معادله های حرکت نیوتن                                                                        67

2-16-1-الگوریتم ورلت                                                                                                           68

2-17-انتخاب گام زمانی                                                                                                           72

2-18-شروع و اجرای شبیه سازی های دینامیک مولکولی                                                           73

2-19-دما                                                                                                                                 74                                              

2-20- محاسبه خواص ترمودینامیکی ساده                                                                                 76 

2-21- خواص قابل محاسبه                                                                                                       77

2-21-1- انرژی پتانسیل                                                                                                             78

2-21-2- انرژی جنبشی                                                                                                            78

2-21-3- انرژی کل                                                                                                                 78

2-21-4- ظرفیت گرمایی                                                                                                         78

2-22-5-محاسبه ضریب هدایت حرارتی نانوسیال بروش شبیه سازی دینامیک مولکولی               79

2-23-مدل های آب                                                                                                                  80

2-23-1-مدل های ساده  آب                                                                                                     80    

2-23-1-1-مدل های دو سایتی                                                                                                 81

2-23-1-2-مدل های سه سایتی                                                                                                 81

2-23-1-3-.مدل های  چهار سایتی                                                                                            82

 2-23-1-4- مدل پنج سایتی                                                                                                      83              

2-23-1-5-مدل 6 سایتی                                                                                                          84

2-23-1-6-هزینه محاسباتی                                                                                                       84

فصل سوم:مروری بر کارهای گذشته

3-1- مروری بر کارهای گذشته                                                                                                 86

فصل چهارم:روش تحقیق

4-1- محاسبه ضریب هدایت حرارتی آب بوسیله روش شبیه سازی دینامیک مولکولی                 91

4-2- محاسبه ضریب هدایت حرارتی نانوسیال بوسیله روش شبیه سازی دینامیک مولکولی           91

4-3-فلوچارت برنامه                                                                                                                 92

فصل پنجم:نتایج و بحث

5-1-هدایت گرمایی نانوسیال                                                                                                     93

5-2-ضریب هدایت حرارتی آب                                                                                                93

5-3-ضریب هدایت حرارتی نانو سیال                                                                                        97

5-4-اثر افزایش تعداد مولکول ها                                                                                               98

5-5-اثر دما بر ضریب هدایت حرارتی نانو سیال                                                                          99   

5-6-بررسی اثر غلظت ضریب بر هدایت حرارتی نانو سیالات                                                    101

5-7-اثر اندازه ذرات بر  ضریب هدایت حرارتی نانوسیال با نانوذره های 3/0 و 0/6 نانومتری      104 

5-8-اثر نوع ذرات بر ضریب هدایت حرارتی نانوسیالات                                                           105

فصل ششم:نتیجه گیری و پیشنهادات

6-1- نتیجه گیری                                                                                                                    108

6-2- پیشنهادات                                                                                                                      110

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