کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5375052 | 1504288 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Drift-diffusion of a localized quantum state along a thermal gradient in a model α-helix
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Drift-diffusion of a localized quantum state along a thermal gradient in a model α-helix Drift-diffusion of a localized quantum state along a thermal gradient in a model α-helix](/preview/png/5375052.png)
چکیده انگلیسی
We consider here a model for the transport of a self-trapped exciton on a lattice under thermal bias in order to develop a quantum mechanical theory for vibrational energy transport along a molecular wire that is in contact with thermal reservoirs at either end of the molecule. For the specific case of the migration of a CO vibrational excitation along a poly-amide α-helix, we find that within our model a CO vibrational exciton can become self-trapped due to strong hydrogen bonding interactions with amide groups even at physiologically relevant temperatures. Furthermore, we find that under the non-equilibrium condition in which the temperature of the two baths are different, the self-trapped state will diffuse towards the cooler end with a diffusion constant proportional to the average temperature of the lattice Dâ(Thot+Tcold)/2 and a drift proportional to the temperature gradient (Thot-Tcold)/N.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 370, Issues 1â3, 12 May 2010, Pages 137-142
Journal: Chemical Physics - Volume 370, Issues 1â3, 12 May 2010, Pages 137-142
نویسندگان
Eric R. Bittner, Anne M. Goj, Irene Burghardt,