离散裂缝诱导各向异性粘弹性地震波模拟与特征分析

The real media always attenuate and distort seismic waves as they propagate in the earth. This behavior can be modeled with a viscoelastic and anisotropic wave equation. The real media can be described as fractured media. In this thesis, we present a high-order staggered grid finite-difference scheme for 2-D viscoelastic wave propagation in a medium containing a large number of small finite length fractures. We use the effective medium approach to compute the anisotropic parameters in each grid cell. By comparing our synthetic seismogram by staggered-grid finite-difference with that by complex-ray parameter ray tracing method, we conclude that the high-order staggered-grid finite-difference technique can effectively used to simulate seismic propagation in viscoelastic-anisotropic media. Synthetic seismograms demonstrate that strong attenuation and significant frequency dispersion due to viscosity are important factors of reducing amplitude and delaying arrival time varying with incidence angle or offset. On the other hand, the amount of scattered energy not only provides an indicator of orientation of fracture sets, but can also provide information about the fracture spacing. Analysis of synthetic seismograms from dry- and fluid-filled fractures indicates that dry-filled fractures show more significant scattering on seismic wavefields than fluid-filled ones, and offset-variations in P-wave amplitude are observable. We also analyze seismic response of an anticlinal trap model that includes a gas-filled fractured reservoir with high attenuation, which attenuates and distorts the so-called bright spot.

波前重建法射线追踪及走时表压缩

As a fast and effective method for approximate calculation of seismic numerical simulation, ray tracing method, which has important theory and practical application value, in terms of seismic theory and seismic simulation, inversion, migration, imaging, simplified from seismic theory according to geometric seismic, means that the main energy of seismic wave field propagates along ray paths in condition of high-frequency asymptotic approximation. Calculation of ray paths and traveltimes is one of key steps in seismic simulation, inversion, migration, and imaging. Integrated triangular grids layout on wavefront with wavefront reconstruction ray tracing method, the thesis puts forward wavefront reconstruction ray tracing method based on triangular grids layout on wavefront, achieves accurate and fast calculation of ray paths and traveltimes. This method has stable and reasonable ray distribution, and overcomes problems caused by shadows in conventional ray tracing methods. The application of triangular grids layout on wavefront, keeps all the triangular grids stable, and makes the division of grids and interpolation of a new ray convenient. This technology reduces grids and memory, and then improves calculation efficiency. It enhances calculation accuracy by accurate and effective description and division on wavefront. Ray tracing traveltime table, which shares the character of 2-D or 3-D scatter data, has great amount of data points in process of seismic simulation, inversion, migration, and imaging. Therefore the traveltime table file will be frequently read, and the calculation efficiency is very low. Due to these reasons, reasonable traveltime table compression will be very necessary. This thesis proposes surface fitting and scattered data compression with B-spline function method, applies to 2-D and 3-D traveltime table compression. In order to compress 2-D (3-D) traveltime table, first we need construct a smallest rectangular (cuboidal) region with regular grids to cover all the traveltime data points, through the coordinate range of them in 2-D surface (3-D space). Then the value of finite regular grids, which are stored in memory, can be calculated using least square method. The traveltime table can be decompressed when necessary, according to liner interpolation method of 2-D (3-D) B-spline function. In the above calculation, the coefficient matrix is stored using sparse method and the liner system equations are solved using LU decomposition based on the multi-frontal method according to the sparse character of the least square method matrix. This method is practiced successfully in several models, and the cubic B-spline function can be the best basal function for surface fitting. It make the construction surface smooth, has stable and effective compression with high approximate accuracy using regular grids. In this way, through constructing reasonable regular grids to insure the calculation efficiency and accuracy of compression and surface fitting, we achieved the aim of traveltime table compression. This greatly improves calculation efficiency in process of seismic simulation, inversion, migration, and imaging.

旋转轴对称介质中的qP波一阶射线追踪

Elastic anisotropy is a very common phenomenon in the Earth’s interior, especial for sedimentary rock as important gas and oil reservoirs. But in the processing and interpretation of seismic data, it is assumption that the media in the Earth’s interior is completely elastic and isotropic, and then the methods based on isotropy are used to deal with anisotropic seismic data, so it makes the seismic resolution lower and the error on images is caused. The research on seismic wave simulation technology can improve our understanding on the rules of seismic wave propagation in anisotropic media, and it can help us to resolve problems caused by anisotropy of media in the processing and interpretation of seismic data. So researching on weakly anisotropic media with rotated axis of symmetry, we study systematically the rules of seismic wave propagation in this kind of media, simulate the process with numerical calculation, and get the better research results. The first-order ray tracing (FORT) formulas of qP wave derived can adapt to every anisotropic media with arbitrary symmetry. The equations are considerably simpler than the exact ray tracing equations. The equations allow qP waves to be treated independently from qS waves, just as in isotropic media. They simplify considerably in media with higher symmetry anisotropy. In isotropic media, they reduce to the exact ray tracing equations. In contrast to other perturbation techniques used to trace rays in weakly anisotropic media, our approach does not require calculation of reference rays in a reference isotropic medium. The FORT-method rays are obtained directly. They are computationally more effective than standard ray tracing equations. Moreover the second-order travel time corrections formula derived can be used to reduce effectively the travel time error, and improve the accuracy of travel time calculation. The tensor transformation equations of weak-anisotropy parameters in media with rotated axis of symmetry derived from the Bond transformation equations resolve effectively the problems of coordinate transformation caused by the difference between global system of coordinate and local system of coordinate. The calculated weak-anisotropy parameters are completely suitable to the first-order ray tracing used in this paper, and their forms are simpler than those from the Bond transformation. In the numerical simulation on ray tracing, we use the travel time table calculation method that the locations of the grids in the ray beam are determined, then the travel times of the grids are obtained by the reversed distance interpolation. We get better calculation efficiency and accuracy by this method. Finally we verify the validity and adaptability of this method used in this paper with numerical simulations for the rotated TI model with anisotropy of about 8% and the rotated ORTHO model with anisotropy of about 20%. The results indicate that this method has better accuracy for both media with different types and different anisotropic strength. Keywords: weak-anisotropy, numerical simulation, ray tracing equation, travel time, inhomogeneity

人工源宽角地震资料中的广角效应及其对地壳速度成像的影响

The seismic wide-angle reflection/refraction method is the one of the most effective method for probing the crustal and upper mantle structure. It mainly uses the wide-angle reflection information from the boundary in the crust and the top boundary of the upper mantle to rebuild the crust and upper mantle structure. Through analyzing the reflection and transmission coefficients of various incident waves on the interface, we think relative to the pre-critical angle reflection information the post critical angle reflection information that received by wide-angle seismic data exists a time-shift effect with the offset variation, and then it must cause the error for velocity analysis and structure image. The feature of the wide-angle seismic wave field of the fourteen representative crust columns tell us that the wide-angle effects in the different representative tectonic units for the interface depth and the interval velocity in crust. We studied the features of the wide-angle seismic wave field through building the crust model and inverse its travel time by GA method to know the wide-angle influence on crustal velocity image. At last we finished the data processing of the Tunxi-Wenzhou wide-angle seismic profile. The results are as following: (1) Through building crust model, we labeled the travel time for all the phases by ray tracing method and remove wide-angle effects method, it revealed the wide-angle effect exists in the seismic data. (2) The travel time inversion by GA method can tell us that the depth by traditional ray tracing method is shallower than the result by remove wide-angle effects method, the latter can recover the crust structure model in effect. (3) We applied the two method mentioned before to the fourteen representative crust columns in China. It indicates that the removed wide-angle effect method in travel time inversion is reasonable and effective. (4) The real data processing from Tunxi-Wenzhou wide-angle seismic profile give us the basic structure through the two ways. The main influence exhibits in the difference of the interval velocity of the curst, and the wide-angle effects in shallow interface are stronger than the deep interface.

各向同性与各向异性介质中地震波旅行时正演模拟与反演成像

By seismic tomography, interesting results have been achieved not only in the research of the geosphere with a large scale but also in the exploration of resources and projects with a small scale since 80'. Compared with traditional inversion methods, seismic tomography can offer more and detailed information about subsurface and has been being paid attention by more and more geophysicists. Since inversion based on forward modeling, we have studied and improved the methods to calculate seismic traveltimes and raypaths in isotropic and anisotropic media, and applied the improved forward methods to traveltime tomography. There are three main kinds of methods to calculate seismic traveltime field and its ray path distribution, which are ray-tracing theory, eikonal equation by the finite-difference and minimum traveltime tree algorithm. In ray tracing, five methods are introduced in the paper, including analytic ray tracing, ray shooting, ray bending, grid ray tracing and rectangle grid ray perturbation with three points. Finite-difference solution of eikonal equation is very efficient in calculation of seismic first-break, but is awkward in calculation of reflection traveltimes. We have put forward a idea to calculate traveltimes of reflected waves using a combining way of eikonal equation method and other one in order to improve its capability of dealing with reflection waves. The minimum traveltime tree algorithm has been studied with emphases. Three improved algorithms are put forward on the basis of basic algorithm of the minimum traveltime tree. The first improved algorithm is called raypath tracing backward minimum traveltime algorithm, in which not only wavelets from the current source but also wavelets from upper source points are all calculated. The algorithm can obviously improve the speed of calculating traveltimes and raypaths in layered or blocked homogeneous media and keep good accuracy. The second improved algorithm is raypath key point minimum traveltime algorithm in which traveltimes and raypaths are calculated with a view of key points of raypaths (key points of raypths mean the pivotal points which determine raypaths). The raypath key point method is developed on the basis of the first improved algorithm, and has better applicability. For example, it is very efficient even for inhomogeneous media. Another improved algorithm, double grid minimum traveltime tree algorithm, bases upon raypath key point scheme, in which a model is divided with two kinds of grids so that the unnecessary calculation can be left out. Violent undulation of curved interface often results in the phenomenon that there are no reflection points on some parts of interfaces where there should be. One efficacious scheme that curved interfaces are divided into segments, and these segments are treated respectively is presented to solve the problem. In addition, the approximation to interfaces with discrete grids leads to large errors in calculation of traveltimes and raypaths. Noting the point, we have thought a new method to remove the negative effect of mesh and to improve calculation accuracy by correcting the traveltimes with a little of additional calculation, and obtained better results.

高斯束射线追踪

Using the approximate high-frequency asymptotic methods to solve the scalar wave equation, we can get the eikonal equation and transport equation. Solving the eikonal equation by the method of characteristics provides a mathematical derivation of ray tracing equations. So, the ray tracing system is folly based on the approximate high-frequency asymptotic methods. If the eikonal is complex, more strictly, the eikonal is real value at the rays and complex outside rays, we can derive the Gaussian beam. This article mainly concentrates on the theory of Gaussian beam. To classical ray tracing theory, the Gaussina beam method (GBM) has many advantages. First, rays are no longer required to stop at the exact position of the receivers; thus time-consuming two-point ray tracing can be avoided. Second, the GBM yields stable results in regions of the wavefield where the standard ray theory fails (e.g., caustics, shadows zones and critical distance). Third, unlike seismograms computed by conventional ray tracing techniques, the GBM synthetic data are less influenced by minor details in the model representation. Here, I realize kinematical and dynamical system, and based on this, realize the GBM. Also, I give some mathematical examples. From these examples, we can find the importance and feasibility of the ray tracing system. Besides, I've studied about the reflection coefficient of inhomogeneous S-electromagnetic wave at the interface of conductive media. Basing on the difference of directions of phase shift constant and attenuation constant when the electromagnetic wave propagates in conductive medium, and using the boundary conditions of electromagnetic wave at the interface of conductive media, we derive the reflection coefficient of inhomogeneous S-electromagnetic wave, and draw the curves of it. The curves show that the quasi total reflection will occur when the electromagnetic wave incident from the medium with greater conductivity to the medium with smaller conductivity. There are two peak, values at the points of the critical angles of phase shift constant and attenuation constant, and the reflection coefficient is smaller than 1. This conclusion is different from that of total reflection light obviously.

井间地震技术研究和应用

Cross well seismic technique is a new type of geophysical method, which observes the seismic wave of the geologic body by placing both the source and receiver in the wells. By applying this method, it averted the absorption to high-frequency component of seismic signal caused by low weathering layers, thus, an extremely high-resolution seismic signal can be acquired. And extremely fine image of cross well formations, structure, and reservoir can be achieved as well. An integrated research is conducted to the high-frequency S-wave and P-wave data and some other data to determine the small faults, small structure and resolving the issues concerning the thin bed and reservoir's connectivity, fluid distribution, steam injection and fracture. This method connects the high-resolution surface seismic, logging and reservoir engineering. In this paper, based on the E & P situation in the oilfield and the theory of geophysical exploration, a research is conducted on cross well seismic technology in general and its important issues in cross well seismic technology in particular. A technological series of integrated field acquisition, data processing and interpretation and its integrated application research were developed and this new method can be applied to oilfield development and optimizing oilfield development scheme. The contents and results in this paper are as listed follows: An overview was given on the status quo and development of the cross well seismic method and problems concerning the cross well seismic technology and the difference in cross well seismic technology between China and international levels; And an analysis and comparison are given on foreign-made field data acquisition systems for cross-well seismic and pointed out the pros and cons of the field systems manufactured by these two foreign companies and this is highly valuable to import foreign-made cross well seismic field acquisition system for China. After analyses were conducted to the geometry design and field data for the cross well seismic method, a common wave field time-depth curve equation was derived and three types of pipe waves were discovered for the first time. Then, a research was conducted on the mechanism for its generation. Based on the wave field separation theory for cross well seismic method, we believe that different type of wave fields in different gather domain has different attributes characteristics, multiple methods (for instance, F-K filtering and median filtering) were applied in eliminating and suppressing the cross well disturbances and successfully separated the upgoing and downgoing waves and a satisfactory result has been achieved. In the area of wave field numerical simulation for cross well seismic method, a analysis was conducted on conventional ray tracing method and its shortcomings and proposed a minimum travel time ray tracing method based on Feraiat theory in this paper. This method is not only has high-speed calculation, but also with no rays enter into "dead end" or "blinded spot" after numerous iterations and it is become more adequate for complex velocity model. This is first time that the travel time interpolation has been brought into consideration, a dynamic ray tracing method with shortest possible path has been developed for the first arrivals of any complex mediums, such as transmission, diffraction and refraction, etc and eliminated the limitation for only traveling from one node to another node and increases the calculation accuracy for minimum travel time and ray tracing path and derives solution and corresponding edge conditions to the fourth-order differential sonic wave equation. The final step is to calculate cross well seismic synthetics for given source and receivers from multiple geological bodies. Thus, real cross-well seismic wave field can be recognized through scientific means and provides important foundation to guide the cross well seismic field geometry designing. A velocity tomographic inversion of the least square conjugated gradient method was developed for cross well seismic velocity tomopgraphic inversion and a modification has been made to object function of the old high frequency ray tracing method and put forward a thin bed oriented model for finite frequency velocity tomographic inversion method. As the theory model and results demonstrates that the method is simple and effective and is very important in seismic ray tomographic imaging for the complex geological body. Based on the characteristics of the cross well seismic algorithm, a processing flow for cross well seismic data processing has been built and optimized and applied to the production, a good section of velocity tomopgrphic inversion and cross well reflection imaging has been acquired. The cross well seismic data is acquired from the depth domain and how to interprets the depth domain data and retrieve the attributes is a brand new subject. After research was conducted on synthetics and trace integration from depth domain for the cross well seismic data interpretation, first of all, a research was conducted on logging constraint wave impedance of cross well seismic data and initially set up cross well seismic data interpretation flows. After it applied and interpreted to the cross well seismic data and a good geological results has been achieved in velocity tomographic inversion and reflection depth imaging and a lot of difficult problems for oilfield development has been resolved. This powerful, new method is good for oilfield development scheme optimization and increasing EOR. Based on conventional reservoir geological model building from logging data, a new method is also discussed on constraining the accuracy of reservoir geological model by applying the high resolution cross well seismic data and it has applied to Fan 124 project and a good results has been achieved which it presents a bight future for the cross well seismic technology.

共反射面元叠加

The seismic survey is the most effective prospecting geophysical method during exploration and development of oil/gas. The structure and the lithology of the geological body become increasingly complex now. So it must assure that the seismic section own upper resolution if we need accurately describe the targets. High signal/noise ratio is the precondition of high-resolution. As one important seismic data processing method, Stacking is an effective means to suppress the records noise. Broadening area of surface stacked is more important to enhance genuine reflection signals and suppressing unwanted energy in the form of coherent and random ambient noise. Common reflection surface stack is a macro-model independent seismic imaging method. Based on the similarity of CRP trace gathers in one coherent zone, CRS stack effectively improves S/N ratio by using more CMP trace gathers to stack. It is regarded as one important method of seismic data processing. Performing CRS stack depends on three attributes. However, the equation of CRS is invalid under condition of great offset. In this thesis, one method based on velocity model in depth domain is put forward. Ray tracing is used to determine the traveltime of CRP in one common reflection surface by the least squares method to regress the equation of CRS. Then we stack in the coherent seismic data set according to the traveltime, and get the zero offset section. In the end of flowchart of implementing CRS stack, one method using the dip angle to enhance the ratio of S/N is used. Application of the method on synthetic examples and field seismic records, the results of this method show an excellent performance of the algorithm both in accuracy and efficiency.

高斯束偏移的方法及应用

Gaussian beam is the asymptotic solution of wave equation concentred at the central ray. The Gaussian beam ray tracing method has many advantages over ray tracing method. Because of the prevalence of multipath and caustics in complex media, Kirchhoff migration usually can not get satisfactory images, but Gaussian beam migration can get better results.The Runge-Kutta method is used to carry out the raytracing, and the wavefront construction method is used to calculate the multipath wavefield. In this thesis, a new method to determine the starting point and initial direction of a new ray is proposed take advantage of the radius of curvature calculated by dynamic ray tracing method.The propagation characters of Gaussian beam in complex media are investigated. When Gaussian beam is used to calculate the Green function, the wave field near the source was decomposed in Gaussian beam in different direction, then the wave field at a point is the superposition of individual Gaussian beams.Migration aperture is the key factor for Kirchhoff migration. In this thesis, the criterion for the choice of optimum aperture is discussed taking advantage of stationary phase analysis. Two equivalent methods are proposed, but the second is more preferable.Gaussian beam migration based on dip scanning and its procedure are developed. Take advantage of the travel time, amplitude, and takeoff angle calculated by Gaussian beam method, the migration is accomplished.Using the proposed migration method, I carry out the numerical calculation of simple theoretical model, Marmousi model and field data, and compare the results with that of Kirchhoff migration. The comparison shows that the new Gaussian beam migration method can get a better result over Kirchhoff migration, with fewer migration noise and clearer image at complex structures.

A Quantitative Evaluation of the AVITEWRITE Model of Handwriting Learning

Much sensory-motor behavior develops through imitation, as during the learning of handwriting by children. Such complex sequential acts are broken down into distinct motor control synergies, or muscle groups, whose activities overlap in time to generate continuous, curved movements that obey an intense relation between curvature and speed. The Adaptive Vector Integration to Endpoint (AVITEWRITE) model of Grossberg and Paine (2000) proposed how such complex movements may be learned through attentive imitation. The model suggest how frontal, parietal, and motor cortical mechanisms, such as difference vector encoding, under volitional control from the basal ganglia, interact with adaptively-timed, predictive cerebellar learning during movement imitation and predictive performance. Key psycophysical and neural data about learning to make curved movements were simulated, including a decrease in writing time as learning progresses; generation of unimodal, bell-shaped velocity profiles for each movement synergy; size scaling with isochrony, and speed scaling with preservation of the letter shape and the shapes of the velocity profiles; an inverse relation between curvature and tangential velocity; and a Two-Thirds Power Law relation between angular velocity and curvature. However, the model learned from letter trajectories of only one subject, and only qualitative kinematic comparisons were made with previously published human data. The present work describes a quantitative test of AVITEWRITE through direct comparison of a corpus of human handwriting data with the model's performance when it learns by tracing human trajectories. The results show that model performance was variable across subjects, with an average correlation between the model and human data of 89+/-10%. The present data from simulations using the AVITEWRITE model highlight some of its strengths while focusing attention on areas, such as novel shape learning in children, where all models of handwriting and learning of other complex sensory-motor skills would benefit from further research.

Three-dimensional free surface modelling in an unstructured mesh environment for metal processing applications

In the casting of metals, tundish flow, welding, converters, and other metal processing applications, the behaviour of the fluid surface is important. In aluminium alloys, for example, oxides formed on the surface may be drawn into the body of the melt where they act as faults in the solidified product affecting cast quality. For this reason, accurate description of wave behaviour, air entrapment, and other effects need to be modelled, in the presence of heat transfer and possibly phase change. The authors have developed a single-phase algorithm for modelling this problem. The Scalar Equation Algorithm (SEA) (see Refs. 1 and 2), enables the transport of the property discontinuity representing the free surface through a fixed grid. An extension of this method to unstructured mesh codes is presented here, together with validation. The new method employs a TVD flux limiter in conjunction with a ray-tracing algorithm, to ensure a sharp bound interface. Applications of the method are in the filling and emptying of mould cavities, with heat transfer and phase change.

Intrinsic measure of diversity gains in generalised distributed antenna systems with cooperative users

The diversity gains achievable in the generalised distributed antenna system with cooperative users (GDAS-CU) are considered. A GDAS-CU is comprised of M largely separated access points (APs) at one side of the link, and N geographically closed user terminals (UTs) at the other side. The UTs are collaborating together to enhance the system performance, where an idealised message sharing among the UTs is assumed. First, geometry-based network models are proposed to describe the topology of a GDAS-CU. The mean cross-correlation coefficients of signals received from non-collocated APs and UTs are calculated based on the network topology and the correlation models derived from the empirical data. The analysis is also extendable to more general scenarios where the APs are placed in a clustered form due to the constraints of street layout or building structure. Subsequently, a generalised signal attenuation model derived from several stochastic ray-tracing-based pathloss models is applied to describe the power-decaying pattern in urban built-up areas, where the GDAS-CU may be deployed. Armed with the cross-correlation and pathloss model preliminaries, an intrinsic measure of cooperative diversity obtainable from a GDAS-CU is then derived, which is the number of independent fading channels that can be averaged over to detect symbols. The proposed analytical framework would provide critical insight into the degree of possible performance improvement when combining multiple copies of the received signal in such systems.

Polarisation analysis of VUV synchrotron radiation emitted from a bending magnet source in the energy range 20-50 eV: A comparison between measurements and theoretical predictions

The results of a study to characterise the polarisation properties of the photon beam emerging from beamline 5D, mounted on a bending magnet source at the Synchrotron Radiation Source, Daresbury Laboratory, are presented. The expectation values for the Stokes parameters corresponding to the light transmitted by the beamline have been calculated by combining ray-tracing and optical methods. The polarisation of the light at the source is modified both by the beamline geometry and by the reflections at the optical components. Although it is often assumed that the polarising properties of grazing incidence optics are negligible, this assumption leads to rather inaccurate results in the VUV region. A study of the reflectivity shows that even at incidence angles (theta(i) = 80-85degrees) which are far from the Brewster angle (theta(B) similar to 45degrees for VUV and soft X-ray radiation) the residual changes in the amplitudes of the reflected light can result in non-negligible polarisation effects. Furthermore, reflection at grazing incidence gives rise to a substantial change in the phase, and this has the effect of rotating the elliptically polarised state. Theoretical Stokes parameters have been compared with full polarisation measurements obtained using a reflection polarimeter in the energy range 20-40 eV. (C) 2003 Elsevier B.V. All rights reserved.

A COMPUTATIONAL INVESTIGATION OF THE NEON-LIKE GERMANIUM COLLISIONALLY PUMPED LASER

The complex problem of a collisionally pumped Ne-like geranium laser is examined through several detailed models. The central model is EHYBRID; a 1 1/2D fluid code which self consistently treats the plasma expansion with the atomic physics of the Ne-like ion for 124 excited levels through a collisional radiative treatment. The output of EHYBRID is used as data for ray-tracing and saturation codes which generate experimental observables. A detailed description of the models is given.

Complex organic molecules in protoplanetary disks

Context. Protoplanetary disks are vital objects in star and planet formation, possessing all the material, gas and dust, which may form a planetary system orbiting the new star. Small, simple molecules have traditionally been detected in protoplanetary disks; however, in the ALMA era, we expect the molecular inventory of protoplanetary disks to significantly increase.

Aims. We investigate the synthesis of complex organic molecules (COMs) in protoplanetary disks to put constraints on the achievable chemical complexity and to predict species and transitions which may be observable with ALMA.

Methods. We have coupled a 2D steady-state physical model of a protoplanetary disk around a typical T Tauri star with a large gas-grain chemical network including COMs. We compare the resulting column densities with those derived from observations and perform ray-tracing calculations to predict line spectra. We compare the synthesised line intensities with current observations and determine those COMs which may be observable in nearby objects. We also compare the predicted grain-surface abundances with those derived from cometary comae observations.

Results. We find COMs are efficiently formed in the disk midplane via grain-surface chemical reactions, reaching peak grain-surface fractional abundances similar to 10(-6)-10(-4) that of the H nuclei number density. COMs formed on grain surfaces are returned to the gas phase via non-thermal desorption; however, gas-phase species reach lower fractional abundances than their grain-surface equivalents, similar to 10(-12)-10(-7). Including the irradiation of grain mantle material helps build further complexity in the ice through the replenishment of grain-surface radicals which take part in further grain-surface reactions. There is reasonable agreement with several line transitions of H2CO observed towards T Tauri star-disk systems. There is poor agreement with HC3(N) lines observed towards LkCa 15 and GO Tau and we discuss possible explanations for these discrepancies. The synthesised line intensities for CH3OH are consistent with upper limits determined towards all sources. Our models suggest CH3OH should be readily observable in nearby protoplanetary disks with ALMA; however, detection of more complex species may prove challenging, even with ALMA "Full Science" capabilities. Our grain-surface abundances are consistent with those derived from cometary comae observations providing additional evidence for the hypothesis that comets (and other planetesimals) formed via the coagulation of icy grains in the Sun's natal disk.