The changes in bio-coke molecular scale influenced by additional lignocellulose via ATR-FTIR

The Scanning Tunneling Microscope (STM) offers exciting new ways of imaging surfaces of biological or organic materials with resolution to the sub-molecular scale. Rigid, conductive surfaces can readily be imaged with the STM with atomic resolution. Unfortunately, organic surfaces are neither sufficiently conductive or rigid enough to be examined directly with the STM. At present, nonconductive surfaces can be examined in two ways: 1) Using the AFM, which measures the deflection of a weak spring as it is dragged across the surface, or 2) coating or replicating non-conductive surfaces with metal layers so as to make them conductive, then imaging with the STM. However, we have found that the conventional freeze-fracture technique, while extremely useful for imaging bulk organic materials with STM, must be modified considerably for optimal use in the STM.

Oriented Luminescent Nanostructures From Single Molecules Of Conjugated Polymers

MRS Proceedings ◽

10.1557/proc-771-l9.8 ◽

2003 ◽

Vol 771 ◽

Author(s):

Adosh Mehta ◽

Pradeep Kumar ◽

Jie Zheng ◽

Robert M. Dickson ◽

Bobby Sumpter ◽

...

Keyword(s):

Conjugated Polymers ◽

Polarization Anisotropy ◽

Emission Pattern ◽

Spectral Signatures ◽

Dipole Emission ◽

Ink Jet ◽

Molecular Scale ◽

Jet Printing ◽

Photochemical Stability ◽

Printing Techniques

AbstractDipole emission pattern imaging experiments on single chains of common conjugated polymers (solubilized poly phenylene vinylenes) isolated by ink-jet printing techniques have revealed surprising uniformity in transition moment orientation perpendicular to the support substrate. In addition to uniform orientation, these species show a number of striking differences in photochemical stability, polarization anisotropy,[1] and spectral signatures[2] with respect to similar (well-studied) molecules dispersed in dilute thin-films. Combined with molecular mechanics simulation, these results point to a structural picture of a folded macromolecule as a highly ordered cylindrical nanostructure whose long-axis (approximately collinear with the conjugation axis) is oriented, by an electrostatic interaction, perpendicular to the coverglass substrate. These results suggest a number of important applications in nanoscale photonics and molecular-scale optoelectronics.

DISCRETE ELEMENT METHOD FOR MOLECULAR SCALE VISUALIZATION OF MICRO-FLOWS

Journal of Flow Visualization and Image Processing ◽

10.1615/jflowvisimageproc.v14.i1.20 ◽

2007 ◽

Vol 14 (1) ◽

pp. 17-34 ◽

Cited By ~ 1

Author(s):

A. Munjiza ◽

E. Rougier ◽

N. W. M. John

Keyword(s):

Discrete Element Method ◽

Discrete Element ◽

Molecular Scale ◽

Micro Flows ◽

Element Method

Programming Technology for Molecular-Scale Computing

10.21236/ada424551 ◽

2004 ◽

Author(s):

Hal Abelson ◽

Gerald J. Sussman ◽

Thomas F. Knight ◽

Radhika Nagpal

Keyword(s):

Molecular Scale

Molecular Scale Theoretical Studies of Energy Deposition and Redistribution in Crystalline High Explosives to Stimulate Enhanced Detectable Signatures

10.21236/ada562439 ◽

2012 ◽

Author(s):

Thomas D. Sewell

Keyword(s):

Energy Deposition ◽

Theoretical Studies ◽

High Explosives ◽

Molecular Scale

Introduction to molecular simulations in soft matter

10.1093/oso/9780198789352.003.0011 ◽

2017 ◽

Author(s):

J.-L. Barrat ◽

J. J. de Pablo

Keyword(s):

Phase Space ◽

Numerical Methods ◽

Theoretical Basis ◽

Soft Matter ◽

Relevant Literature ◽

Coarse Grained ◽

Soft Interfaces ◽

Molecular Scale ◽

Soft Matter Physics ◽

The Continuum

We describe the main features of the coarse-grained models that are typically useful in modelling soft interfaces, from force fields to the continuum descriptions involving density fields. We explain the theoretical basis of the main numerical methods that are used to explore the phase space associated with these models. Finally, three recent examples, illustrating the spirit in which relatively simple simulations can contribute to solving pending problems in soft matter physics, are briefly described. Clearly, a short series of lectures can offer, at best, a biased and restricted view of the available approaches. Our aim here will be to provide the reader with such an overview, with a focus on methods and descriptions that ‘bridge the scale’ between the molecular scale and the continuum or quasi-continuum one. The objective to present a guide to the relevant literature—which has now to a large extent appeared in the form of textbooks.

State of the‐Art for Extrudate Swell of Molten Polymers: From Fundamental Understanding at Molecular Scale toward Optimal Die Design at Final Product Scale

Macromolecular Materials and Engineering ◽

10.1002/mame.202070029 ◽

2020 ◽

Vol 305 (11) ◽

pp. 2070029

Author(s):

Dahang Tang ◽

Flavio H. Marchesini ◽

Ludwig Cardon ◽

Dagmar R. D'hooge

Keyword(s):

State Of The Art ◽

Die Design ◽

Extrudate Swell ◽

Molecular Scale ◽

Fundamental Understanding ◽

Molten Polymers

Different submicellar solubilization mechanisms revealed by 1H NMR and 2D diffusion ordered spectroscopy (DOSY)

Physical Chemistry Chemical Physics ◽

10.1039/d0cp00429d ◽

2020 ◽

Vol 22 (19) ◽

pp. 11075-11085

Author(s):

Mengjian Wu ◽

Zhaoxia Wu ◽

Shangwu Ding ◽

Zhong Chen ◽

Xiaohong Cui

Keyword(s):

Nmr Spectroscopy ◽

Sodium Dodecyl Sulfate ◽

1H Nmr ◽

Sodium Dodecyl ◽

Butyl Methacrylate ◽

H Nmr ◽

Molecular Scale ◽

Two Systems ◽

Dodecyl Sulfate ◽

Triton X

Different submicellar solubilization mechanisms of two systems, Triton X-100/tetradecane and sodium dodecyl sulfate (SDS)/butyl methacrylate, are revealed on the molecular scale by 1H NMR spectroscopy and 2D diffusion ordered spectroscopy (DOSY).

Probing Molecular-Scale Oxidative Generation of Quinone Methides and Their Transformation Using Tip-Enhanced Raman Spectroscopy

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.0c03313 ◽

2021 ◽

Vol 12 (3) ◽

pp. 1110-1115

Author(s):

Keng-Jia Hsu ◽

Chang-Lin Hsieh ◽

Chi-Jui Tsai ◽

Kien Voon Kong

Keyword(s):

Raman Spectroscopy ◽

Quinone Methides ◽

Molecular Scale ◽

Tip Enhanced Raman Spectroscopy ◽

Oxidative Generation

High tunneling magnetoresistance induced by symmetry and quantum interference in magnetic molecular junctions

Journal of Materials Chemistry C ◽

10.1039/d1tc00688f ◽

2021 ◽

Author(s):

Lin Huang ◽

Yu-Jia Zeng ◽

Dan Wu ◽

Nan-Nan Luo ◽

Ye-Xin Feng ◽

...

Keyword(s):

Density Functional Theory ◽

Green’S Function ◽

Green's Function ◽

Quantum Interference ◽

Density Functional ◽

Molecular Junctions ◽

Tunneling Magnetoresistance ◽

Functional Theory ◽

Nonequilibrium Green's Function ◽

Molecular Scale

Achieving high tunneling magnetoresistance (TMR) in molecular-scale junctions is attractive for their applications in spintronics. By using density-functional theory (DFT) in combination with the nonequilibrium Green's function (NEGF) method, we...